4-(4-Aminophenyl)butanoic acid

HCID 27049
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Basic information

CAS
15118-60-2
Standard SMILES
Nc1ccc(CCCC(=O)O)cc1
InChIKey
RBHLFWNKEWLHBP-UHFFFAOYSA-N
Molecular formula
C10H13NO2
Average molar mass
179.22 g/mol
Monoisotopic mass
179.09462866

Names & identifiers

Preferred name
4-(4-Aminophenyl)butanoic acid
IUPAC
4-(4-aminophenyl)butanoic acid
English name
4-(4-Aminophenyl)butyric acid
Molecular formula
C10H13NO2
Molecular weight
179.22

Names & synonyms

4-(4-aminophenyl)butanoic acidRefChem:513834628-142-44-(4-Aminophenyl)butyric acid15118-60-2Benzenebutanoic acid, 4-amino-MFCD000750524-(P-AMINOPHENYL)BUTYRIC ACIDNSC275314-(4aminophenyl)butyric acid4-(4-aminophenyl) butyric acidNSC-27531
Show more names
AKOS BB-88104-Amino-benzenebutanoicp-Aminophenylbutyricacid4-Aminophenylbutyric Acid4-(4-Aminophenyl)butanoicacid4-(4-azanylphenyl)butanoic acid4-(4-AMinophenyl)butyric acid 95%
AKOS004117887DS-122834-aminobenzenebutanoic acid4-(p-Aminophenyl)butyric Acid; 4-Aminobenzenebutanoic Acid; NSC 27531AM20060516FT-06008153-DIETHYLAMINOPROPYLCHLORIDEHYDROCHLORIDEA18230

Database identifiers

CAS
15118-60-2
PubChem CID
27049
DTXSID
DTXSID50164727
ChEMBL
CHEMBL1650245
EC Number
628-142-4
Nikkaji
J81.824K

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
121 · 121-124 °C (lit.) 121-133 °C
Boiling point
363.7 · 363.7±17.0 °C(Predicted)
Density
1.177 · 1.177±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2922498590
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Description4-(4-Aminophenyl)butyric acid (4-APB) is an important organic compound derived from butyric acid, which is used as a synthetic intermediate for pharmaceuticals or the synthesis of various compounds. It is also used in drug mechanism studies and is thought to be an agonist for certain G-protein coupled receptors and may also interact with other proteins in the signal transduction pathway. In addition, 4-(4-aminophenyl)butyric acid has been found to inhibit monoamine oxidase, which plays a role in neurotransmitter catabolism.

Uses4-(4-Aminophenyl)butyric Acid is a degradation product of Chlorambucil (C325050); an alkylating agent that is used as an chemotherapy drug in the treatment of chronic lymphocytic leukemia. Chlorambucil is also used to treat non-Hodgkin''s lymphoma (NHL) and Hodgkin''s disease.

Upstream & downstream products

Suppliers100 total

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

79 records
New reaction record

Compound notes

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