3-Aminopropanamide hydrochloride

HCID 22222288CAS 64017-81-8

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Basic information

Standard SMILES: Cl.NCCC(N)=O
InChIKey: GAGJMOQGABUOBK-UHFFFAOYSA-N
Molecular formula: C3H9ClN2O
Average molar mass: 124.57 g/mol
Monoisotopic mass: 124.0403406

Names & identifiers

Preferred name: 3-Aminopropanamide hydrochloride
IUPAC: 3-aminopropanamide;hydrochloride
English name: H-BETA-ALA-NH2 HCL
Molecular formula: C3H8N2O.ClH
Molecular weight: 124.57

Names & synonyms

3-aminopropanamide hydrochlorideRefChem:497766878-069-964017-81-8H-beta-Ala-NH2.HClH-BETA-ALA-NH2 HCL3-Aminopropionamide Hydrochloridebeta-Alaninamide Hydrochloride3-Aminopropanamide HClH-|A-Ala-NH2.HCl3-amino-propionamide hydrochlorideMFCD00060747

Show more names

H-β-Ala-NH2.HClβ-Alaninamide Hydrochloride-Ala-Nh2.HclSS-ALA-NH2HCLH-beta-Ala-NH2β- Ala-NH2.HclH-SS-ALA-NH2HCLbeta-Alaninamide3-Aminopropionamide

3-aminopropanamide;hydrochlorideH-beta-Ala-NH2 hydrochloridePropanamide, 3-amino-, hydrochloride (1:1)H-beta-Ala-NH HClH-BETA-ALA-NH2HCLPropanamide, 3-amino-, monohydrochloridebeta-alanine amide hydrochlorideb-Ala-NH2.HCl

Database identifiers

CAS: 64017-81-8
PubChem CID: 22222288
DTXSID: DTXSID70623543
ChEMBL: CHEMBL1222064
EC Number: 878-069-9

Properties

Computed structural properties

Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 52

Physicochemical properties

Melting point: 153 °C · 153°C
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Soluble in methanol.
form: Solid
color: White to Almost white
Sensitive: Air Sensitive
CAS DataBase Reference: 64017 · 64017-81-8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

Safety data

hs_code: 2924297099
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Usesbeta-Alaninamide hydrochloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.