N1-(1-Methylethyl)-1,4-benzenediamine

HCID 85306CAS 16153-75-6

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Basic information

Standard SMILES: CC(C)Nc1ccc(N)cc1
InChIKey: YFZNTUOMAQXCQZ-UHFFFAOYSA-N
Molecular formula: C9H14N2
Average molar mass: 150.22 g/mol
Monoisotopic mass: 150.11569845

Names & identifiers

Preferred name: N1-(1-Methylethyl)-1,4-benzenediamine
IUPAC: 4-N-propan-2-ylbenzene-1,4-diamine
English name: N-(1-methylethyl)benzene-1,4-diamine
Molecular formula: C9H14N2
Molecular weight: 150.22

Names & synonyms

16153-75-61,4-Benzenediamine, N-(1-methylethyl)-N-Isopropyl-p-phenylenediamineN1-(1-Methylethyl)-1,4-benzenediamineDTXSID7066017N-isopropyl-1,4-phenylenediamineRefChem:830191DTXCID2035198240-305-8N-(1-Methylethyl)benzene-1,4-diamineN1-ISOPROPYLBENZENE-1,4-DIAMINEEINECS 240-305-8

Show more names

N-ISOPROPYL-PARAPHENYLENDIAMINE1,4-Benzenediamine, N1-(1-methylethyl)-1,4-Benzenediamine,N-(1-methylethyl)-(9CI)

4-N-propan-2-ylbenzene-1,4-diamineisopropyl-paraphenylenediamineSCHEMBL475453SCHEMBL7163359N-Isopropyl-benzene-1,4-diamineMFCD08056232AKOS009235247N~1~-(Propan-2-yl)benzene-1,4-diamine

Database identifiers

CAS: 16153-75-6
PubChem CID: 85306
DTXSID: DTXSID7066017
EC Number: 240-305-8
Nikkaji: J93.147K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 104

Physicochemical properties

Boiling point: 279.1 · 279.1±13.0 °C(Predicted)
Density: 1.039 · 1.039±0.06 g/cm3(Predicted)
pka: 6.34 · 6.34±0.10(Predicted)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 1 · 1,4-Benzenediamine, N-(1-methylethyl)- (16153-75-6)
TSCA: TSCA listed