CAS 18523-47-2 Azidopropionic acid (HCID 155604)

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Basic information

CAS: 18523-47-2
Standard SMILES: [N-]=[N+]=NCCC(=O)O
InChIKey: YIPVUXAMZQBALD-UHFFFAOYSA-N
Molecular formula: C3H5N3O2
Average molar mass: 115.09 g/mol
Monoisotopic mass: 115.0381764

Names & identifiers

Preferred name: Azidopropionic acid
IUPAC: 3-azidopropanoic acid
English name: 3-azidopropanoic acid
Molecular formula: C3H5N3O2
Molecular weight: 115.0907

Names & synonyms

3-azidopropanoic acid3-azidopropionic acidAzidopropionic acidPropanoic acid, 3-azido-CCRIS 1794PXM5HY6VUNDTXSID50171759RefChem:116108DTXCID3094250805-451-418523-47-2MFCD01695706

Show more names

CilostazolImpurity8-d43-Azidopropanic acid - [A1939]

C3H5N3O23-azido-propionic acid3-AzidopropionicAcid3-Azidopropanic acid3-azido propionic acidUNII-PXM5HY6VUNorb2645572SCHEMBL13482785

Database identifiers

CAS: 18523-47-2
PubChem CID: 155604
DTXSID: DTXSID50171759
UNII: PXM5HY6VUN
EC Number: 805-451-4
Nikkaji: J2.624.282G

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 51.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 126

Physicochemical properties

storage temp.: 0 · Store at 0-8 °C
solubility: Chloroform (Slightly), DMSO (Soluble), Methanol (Slightly)
form: Oil
color: Colourless to Pale Yellow
FDA UNII: 5 HY6VUN · PXM5HY6VUN
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H302-H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H302-H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 2 items

Description3-Azidopropionic Acid contains an azide moiety and carboxylic acid group. The azide group can undergo copper-catalyzed Click Chemistry reactions with alkyne groups. The terminal carboxylic acid group can react with primary amine groups in the presence of activators such as EDC or HATU to form stable amide bonds.

Uses3-Azidopropionic Acid is a mutagenic substance.