4-Phthalimidobutyric acid, 97% 4-苯二甲酰亚氨基丁酸

CAS 3130-75-4 MFCD00196079

化学结构图

3130-75-4
SMILES: O=C(O)CCCN1C(=O)c2ccccc2C1=O

化学属性

Mol. FormulaC12H11NO4
Mol. Weight233.22
Melting Point119-121°C
Boiling Point442.1°C at 760 mmHg

别名和识别编码

Chemical Name4-Phthalimidobutyric acid, 97%
CAS Number3130-75-4
Alfabeta NameDIOXODIHYDROISOINDOLYLBUTANOICACID H4131322()--------,,
MDL NumberMFCD00196079
Chemical Name Translation4-苯二甲酰亚氨基丁酸
Synonym O-Phthalimide-C3-acid {LY} O-Phthalimide-C3-acid {} {LY} O-Phthalimide-C3-acid {} {} {LY} O-Phthalimide-C3-acid {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN208243
PubChem Substance ID18411
Wiswesser Line NotationT56 BVNVJ C3VQ
Beilstein Registry Number208243
InChIKeyHMKSXJBFBVGLJJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00142515
InChIInChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
Canonical SMILESC1=CC=C2C(=C1)C(=O)N(CCCC(=O)O)C2=O
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分类

  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Hazard Codes Xi
RTECSNR3459000
Signal word Warning
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P362+P364
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P337+P313
  • P302+P352
  • P332+P313
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 327 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 27,805,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 400 mg/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1946-  Volume(issue)/page/year:
   28,680,1973

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
4
H-bond Donors
1
LogP
9.659000000000000e-001

其他信息

  • MOL 文件:3130-75-4.mol

系列性分类


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