2,3-Butanediamine

HCID 136362CAS 563-86-0

Substructure search Find similar structures

Basic information

Standard SMILES: CC(N)C(C)N
InChIKey: GHWVXCQZPNWFRO-UHFFFAOYSA-N
Molecular formula: C4H12N2
Average molar mass: 88.15 g/mol
Monoisotopic mass: 88.10004838

Names & identifiers

Preferred name: 2,3-Butanediamine
IUPAC: butane-2,3-diamine

Names & synonyms

2,3-Diaminobutane2,3-Butanediamine563-86-01,2-dimethylethylenediamineDTXSID0090376969M14J0JU2RefChem:1059299DTXCID00835778Butane-2,3-diaminebutane, 2,3-diamino-(2S,3S)-(-)-2,3-BUTANEDIAMINE DIHYDROCHLORIDEUNII-69M14J0JU2

Show more names

2,3-diaminobutandimethyl-1,2-diaminoethanedimethyl-1,2-ethanediaminedimethylethane-1,2-diamineSCHEMBL472255SCHEMBL1509779SCHEMBL4989483SCHEMBL4989488

Database identifiers

CAS: 563-86-0
PubChem CID: 136362
DTXSID: DTXSID00903769
Nikkaji: J777.537G

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 30.5

Related reactions

26 records

New reaction record

HRID 85382As reactantuspto-grants-2014_09

HRID 247583As reactantuspto-grants-1987_11

HRID 306872As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 684634As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 837396As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 919147As reactantuspto-grants-2016_03

HRID 952314As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 980010As reactantuspto-grants-1987_01

Linked notes

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