Pentane-1,1-diamine

HCID 21872002

Notes Reactions

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Basic information

CAS: 80247-16-1
Standard SMILES: CCCCC(N)N
InChIKey: KJOMYNHMBRNCNY-UHFFFAOYSA-N
Molecular formula: C5H14N2
Average molar mass: 102.18 g/mol
Monoisotopic mass: 102.11569846

Names & identifiers

Preferred name: Pentane-1,1-diamine
IUPAC: pentane-1,1-diamine

Names & synonyms

PENTANE-1,1-DIAMINE80247-16-1DTXSID70619148RefChem:368104DTXCID20569902PentanediamineSCHEMBL308712SCHEMBL794231SCHEMBL892806SCHEMBL3721257SCHEMBL17707236KJOMYNHMBRNCNY-UHFFFAOYSA-N

Show more names

AKOS006339749

Database identifiers

CAS: 80247-16-1
PubChem CID: 21872002
DTXSID: DTXSID70619148

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 35.1

Related reactions

1 records

New reaction record

HRID 1181161As reactantuspto-grants-2007_10

Compound notes

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