3-Amino-3-(thiophen-2-yl)propanoic acid

HCID 249306
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Basic information

CAS
18389-46-3
Standard SMILES
NC(CC(=O)O)c1cccs1
InChIKey
GYAYLYLPTPXESE-UHFFFAOYSA-N
Molecular formula
C7H9NO2S
Average molar mass
171.22 g/mol
Monoisotopic mass
171.03539953

Names & identifiers

Preferred name
3-Amino-3-(thiophen-2-yl)propanoic acid
IUPAC
3-amino-3-thiophen-2-ylpropanoic acid
English name
3-Amino-3-(2-thienyl)propanoic acid
Molecular formula
C7H9NO2S
Molecular weight
171.22

Names & synonyms

18389-46-33-amino-3-(thiophen-2-yl)propanoic acid3-amino-3-(2-thienyl)propanoic acid3-Amino-3-(2-thienyl)propionic acid3270-89-13-amino-3-thiophen-2-ylpropanoic acid3-Amino-3-thiophen-2-yl-propionic acidDL-3-(2-Thienyl)-beta-alanineMFCD00152178EINECS 242-268-32-Thiophenepropanoic acid, beta-amino-3-Amino-3-(2-thienyl)-propionic acid
Show more names
AKOS B013351ART-CHEM-BB B013351RARECHEM AK HC S1963-AMINO-3-THIEN-2-YLPROPANOIC ACID3-Amino-3-(2-thienyl)propanoic acid ,97%
b-Amino-2-thiophenepropanoic acidNSC674293-(2-THIENYL)-BETA-ALANINER-beta-2-THI(3S)-3-AMINO-3-(2-THIENYL)PROPANOIC ACIDNCIOpen2_000160Oprea1_644016SCHEMBL2030179

Database identifiers

CAS
18389-46-3、3270-89-1
PubChem CID
249306
DTXSID
DTXSID60939766
ChEMBL
CHEMBL4159043
EC Number
242-268-3
Nikkaji
J1.231.457D

Properties

Computed structural properties

XLogP
-2.3
Topological polar surface area
91.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Melting point
205 · 205-207°C
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39
HS Code
29349990 · 29349990

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 2 reports by companies from 1 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

hs_code
29349990
risk_code
36/37/38
safety_code
26-36/37/39

Chemistry & industry

Upstream & downstream products

Suppliers9 total

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
常州合晶化工有限公司85528066 13775048983 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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