Structure

Butixirate

CAS
19992-80-4
Catalog Number
ACM19992804
Category
Other Products
Molecular Weight
415.567120 [g/mol]
Molecular Formula
C16H16O2.C12H17N

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Specification

Synonyms
Butixirate; EINECS 243-454-7; MG 5771; Xenbucin trans-4-phenylcyclohexylamine salt; Butixiratum [INN-Latin]; Butixirato [INN-Spanish]; Flectar; trans-4-Phenylcyclohexylamin 2-(4-biphenylyl)butyrat;
IUPAC Name
4-phenylcyclohexan-1-amine; 2-(4-phenylphenyl)butanoic acid
Canonical SMILES
CCC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O.C1CC(CCC1C2=CC=CC=C2)N
InChI Key
KWFFVBCJCQQAIV-UHFFFAOYSA-N
Boiling Point
400.1ºC at 760mmHg
Flash Point
296.9ºC
EC Number
243-454-7
Exact Mass
415.25100
H-Bond Acceptor
3
H-Bond Donor
2
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