Basic information
- Standard SMILES
NCCC(N)=O- InChIKey
RSDOASZYYCOXIB-UHFFFAOYSA-N- Molecular formula
- C3H8N2O
- Average molar mass
- 88.11 g/mol
- Monoisotopic mass
- 88.06366288
Overview
Beta-alaninamide is an amino acid amide compound consisting of propionamide having a 3-amino substituent. It is a conjugate base of a beta-alaninium amide.
Names & identifiers
- Preferred name
- beta-Alaninamide
- IUPAC
- 3-aminopropanamide
- English name
- beta-alanine amide
- Molecular formula
- C3H8N2O
- Molecular weight
- 88.11
Names & synonyms
4726-85-6beta-Alanine amidebeta-alaninamide3-AminopropionamideCHEBI:55360DTXSID10197076RefChem:119173DTXCID201195673-aminopropanamide3-AMINO-PROPIONAMIDEPropanamide, 3-amino-MFCD00038161
Show more names
β-alaninamide3-Amino-propiomide3-azanylpropanamideVigabatrin Impurity 10beta-alaninamide(SALTDATA: HCl)3-AMINOPROPANAMIDE (BETA-ALANINE AMIDE)
beta-Ala-NH2H-betaAla-NH2DUH595K4WRSCHEMBL82768SCHEMBL207960SCHEMBL1632013SCHEMBL1751284SCHEMBL4450142
Database identifiers
- CAS
4726-85-6- PubChem CID
- 192802
- DTXSID
DTXSID10197076- ChEMBL
CHEMBL1229081- ChEBI
CHEBI:55360- UNII
- DUH595K4WR
- EC Number
- 803-875-4
- Nikkaji
- J83.265K
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 52.8
Physicochemical properties
- Boiling point
- 306.5 · 306.5±25.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 16.45 · 16.45±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
苏州君叶生物医药科技有限公司0512-0512-53662086-8001 18913766772 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
济南明觉生物医药科技有限公司15628895690 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Additional notes
DefinitionChEBI: An amino acid amide compound consisting of propionamide having a 3-amino substituent.
Related reactions
15 records
Linked notes
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