4-Methyl-6-(3-methylbut-2-en-1-yl)benzene-1,3-diamine

HCID 15664014

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Basic information

CAS: 111963-02-1
Standard SMILES: CC(C)=CCc1cc(C)c(N)cc1N
InChIKey: SNXPAMKNTKNRHZ-UHFFFAOYSA-N
Molecular formula: C12H18N2
Average molar mass: 190.28 g/mol
Monoisotopic mass: 190.14699858

Names & identifiers

Preferred name: 4-Methyl-6-(3-methylbut-2-en-1-yl)benzene-1,3-diamine
IUPAC: 4-methyl-6-(3-methylbut-2-enyl)benzene-1,3-diamine

Names & synonyms

111963-02-1SCHEMBL97510554-Methyl-6-(3-methylbut-2-en-1-yl)benzene-1,3-diamineDTXSID00576513SNXPAMKNTKNRHZ-UHFFFAOYSA-N5-(3-Methylbut-2-enyl)-2,4-toluenediamine

Database identifiers

CAS: 111963-02-1
PubChem CID: 15664014
DTXSID: DTXSID00576513

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 206

Related reactions

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HRID 231364As productuspto-grants-1989_07

Compound notes

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