3-Bromoprop-2-yn-1-amine

HCID 16005116

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Basic information

CAS: 738577-45-2
Standard SMILES: NCC#CBr
InChIKey: MNPAYJHQXYTXOW-UHFFFAOYSA-N
Molecular formula: C3H4BrN
Average molar mass: 133.97 g/mol
Monoisotopic mass: 132.95271

Names & identifiers

Preferred name: 3-Bromoprop-2-yn-1-amine
IUPAC: 3-bromoprop-2-yn-1-amine

Names & synonyms

3-BROMOPROP-2-YN-1-AMINE738577-45-2DTXSID00580973RefChem:277785DTXCID50531738CHEMBL3934737SCHEMBL14085345BDBM185638AKOS006364336US9161922, Table 1, Compound 4EN300-7568499

Database identifiers

CAS: 738577-45-2
PubChem CID: 16005116
DTXSID: DTXSID00580973
ChEMBL: CHEMBL3934737
Nikkaji: J1.910.637C

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 65.5

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