Basic information
- CAS
13215-35-5- Standard SMILES
NC(CCl)C(=O)O- InChIKey
ASBJGPTTYPEMLP-UHFFFAOYSA-N- Molecular formula
- C3H6ClNO2
- Average molar mass
- 123.54 g/mol
- Monoisotopic mass
- 123.00870611
Overview
3-chloroalanine is a chloroalanine obtained by replacement of one of the methyl hydrogens of alanine by a chloro group. It is a chloroalanine, an organochlorine compound and a non-proteinogenic alpha-amino acid.
Names & identifiers
- Preferred name
- beta-Chloroalanine
- IUPAC
- 2-amino-3-chloropropanoic acid
- English name
- 3-Chloro-L-alanine
- Molecular formula
- C3H6ClNO2
- Molecular weight
- 123.54
Names & synonyms
3-Chloroalanine3981-36-0beta-ChloroalanineN-ChloroalanineDL-3-Chloroalaninebeta-chloro-DL-alanineCHEBI:88164DTXSID70927558RefChem:500454DTXCID9010081532-amino-3-chloropropanoic acid13215-35-5
Show more names
L-ALA-3-CLH-ALA(3-CL)-OHH-DL-ALA(3-CL)-OHH-ALA(BETA-CL)-OHB-chloro-dl-alanineBETA-CHLORO-ALANINEH-BETA-CHLORO-ALA-OHBETA-CHLORO-L-ALANINEDl-alanine, 3-chloro-
3-CHLORO-DL-ALANINEAlanine, 3-chloro-alanine, 3-chloro-, hydrochlorideL-beta-ChloroalanineC3H6ClNO2b-Chloro-L-alanine.beta.-Chloro-D-alanine2-amino-3-chloropropanoicacid
Database identifiers
- CAS
13215-35-5、39217-38-4、3981-36-0- PubChem CID
- 78
- DTXSID
DTXSID70927558- ChEBI
CHEBI:88164
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 75.3
Physicochemical properties
- Melting point
- 156 · 156-157 °C
- storage temp.
- 20 °C · −20°C
- form
- solid
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 39 reports by companies from 2 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
江苏洪珉药业有限公司18221292452 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Additional notes
DefinitionChEBI: 3-chloroalanine is a chloroalanine obtained by replacement of one of the methyl hydrogens of alanine by a chloro group. It is a non-proteinogenic alpha-amino acid, an organochlorine compound and a chloroalanine.
Related reactions
2 records
Compound notes
Loading…