2-Aminopropanediamide

HCID 96457

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Basic information

CAS: 62009-47-6
Standard SMILES: NC(=O)C(N)C(N)=O
InChIKey: GFQBSQXXHYLABK-UHFFFAOYSA-N
Molecular formula: C3H7N3O2
Average molar mass: 117.11 g/mol
Monoisotopic mass: 117.05382648

Names & identifiers

Preferred name: 2-Aminopropanediamide
IUPAC: 2-aminopropanediamide
English name: 2-aminopropanediamide
Molecular formula: C3H7N3O2
Molecular weight: 117.11

Names & synonyms

2-aminomalonamide2-Aminopropanediamide62009-47-6AminomalonamidePropanediamide, 2-amino-P2V6JL2SPFEINECS 263-370-4NSC 75208NSC-75208MALONAMIDE, 2-AMINO-DTXSID60211059RefChem:85405

Show more names

C3H7N3O2favipiravir-0012-Aminopropandiamid2-azanylpropanediamideamino-malonic acid diamide2-Aminopropane-1,3-diamide

DTXCID10133550263-370-4GFQBSQXXHYLABK-UHFFFAOYSA-NAminomalonamidMFCD000159322-Amino-malonamide2-Amino-propanediamideUNII-P2V6JL2SPF

Database identifiers

CAS: 62009-47-6
PubChem CID: 96457
DTXSID: DTXSID60211059
UNII: P2V6JL2SPF
EC Number: 263-370-4
Nikkaji: J306.962A

Properties

Computed structural properties

XLogP: -2.6
Topological polar surface area: 112 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 180 · 180-185°C
Boiling point: 410.1 · 410.1±40.0 °C(Predicted)
Density: 1.399 · 1.399±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: DMSO (Sparingly), Methanol (Sparingly)
pka: 9.87 · 9.87±0.70(Predicted)
form: Solid
color: Pale Yellow to Beige
InChI: InChI=1S/C3H7N3O2/c4-1(2(5)7)3(6)8/h1H,4H2,(H2,5,7)(H2,6,8)
InChIKey: GFQBSQXXHYLABK-UHFFFAOYSA-N
SMILES: C(N)(=O)C(N)C(N)=O
CAS DataBase Reference: 62009 · 62009-47-6
FDA UNII: 2 V6JL2SPF · P2V6JL2SPF
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2924190090 · 2924190090

Safety & regulation

Safety data

hs_code: 2924190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362