Benzyl alcohol, alpha-(butylaminomethyl)-3,4-dihydroxy-

HCID 25101

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Basic information

CAS: 10253-82-4
Standard SMILES: CCCCNCC(O)c1ccc(O)c(O)c1
InChIKey: ZCIITWDRVZDHDR-UHFFFAOYSA-N
Molecular formula: C12H19NO3
Average molar mass: 225.28 g/mol
Monoisotopic mass: 225.13649347

Names & identifiers

Preferred name: Benzyl alcohol, alpha-(butylaminomethyl)-3,4-dihydroxy-
IUPAC: 4-[2-(butylamino)-1-hydroxyethyl]benzene-1,2-diol

Names & synonyms

10253-82-4BENZYL ALCOHOL, alpha-(BUTYLAMINOMETHYL)-3,4-DIHYDROXY-RefChem:10794493,4-Dihydroxy-alpha-(butylaminomethyl)benzyl alcoholButyladrenalineWIN 55901951-20-8BRN 2807791PropyladrenalinSN 4-151Protocatechuyl alcohol, alpha-(butylaminomethyl)-4-[2-(butylamino)-1-hydroxyethyl]benzene-1,2-diol

Show more names

1,2-Benzenediol, 4-(2-(butylamino)-1-hydroxyethyl)-alpha-((Butylamino)methyl)-3,4-dihydroxybenzyl alcoholSCHEMBL9768153SCHEMBL23727888DTXSID80907689

Database identifiers

CAS: 10253-82-4、1951-20-8
PubChem CID: 25101
DTXSID: DTXSID80907689

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 72.7 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 189

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