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Basic information
- CAS
338-69-2- Standard SMILES
C[C@@H](N)C(=O)O- InChIKey
QNAYBMKLOCPYGJ-UWTATZPHSA-N- Molecular formula
- C3H7NO2
- Average molar mass
- 89.09 g/mol
- Monoisotopic mass
- 89.04767846
Overview
D-alanine is the D-enantiomer of alanine. It has a role as an Escherichia coli metabolite, a human metabolite and an EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor. It is an alanine and a D-alpha-amino acid. It is a conjugate base of a D-alaninium. It is a conjugate acid of a D-alaninate. It is an enantiomer of a L-alanine. It is a tautomer of a D-alanine zwitterion.
Names & identifiers
- Preferred name
- D-Alanine
- IUPAC
- (2R)-2-aminopropanoic acid
Names & synonyms
D-alanine338-69-2(2R)-2-aminopropanoic acidD-2-Aminopropionic acidD-AlaD-alpha-AlanineAlanine, D-Alanine D-form(R)-2-Aminopropionic acidD-(-)-AlanineD-alpha-AminopropionsaeureD-Alanin
Show more names
(R)-2-AminopropionsaeureD-alpha-aminopropionic acidD-.alpha.-AlanineDTXSID3045649UNII-E3UDS4613UD(-)-alpha-AlanineD(-)-.alpha.-AlanineEINECS 206-418-1
Database identifiers
- CAS
338-69-2- PubChem CID
- 71080
- DTXSID
DTXSID3045649- ChEMBL
CHEMBL66693- ChEBI
CHEBI:15570- UNII
- E3UDS4613U
- EC Number
- 206-418-1
- Nikkaji
- J9.190A
Properties
Computed structural propertiesFilling in
- XLogP
- -3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 61.8
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP-2.912
Solubility165.0 mg/mL
Melting Point292 °C
Physical DescriptionSolid
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.
Warning
H315 (33.3%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: D-Alanine
D-Alanine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - D-Alanine: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationD-Alanine: ACTIVE
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
Related reactions
97 records
Compound notes
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