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Vanillylamine

Vanillylamine structure

CAS No:
1196-92-5
Formula:
C8H11NO2
Chemical Name:
Vanillylamine
Synonyms:
Phenol,4-(aminomethyl)-2-methoxy-;p-Cresol,α-amino-2-methoxy-;Creosol,α-amino-;4-(Aminomethyl)-2-methoxyphenol;Vanillylamine;4-Hydroxy-3-methoxybenzylamine;3-Methoxy-4-hydroxybenzylamine;(3-Methoxy-4-hydroxyphenyl)methylamine;[(4-Hydroxy-3-methoxyphenyl)methyl]amine;4-Aminomethyl-2-methoxy-phenol;Capsivirol-T;(4-Hydroxy-3-methoxyphenyl)methanamine
Categories:
Organic Chemistry > Amides

Description

Solid

Vanillylamine is an aralkylamino compound. It derives from a vanillyl alcohol. It is a conjugate base of a vanillylamine(1+).

Vanillylamine Basic Attributes

Molecular Weight：

153.17844

Exact Mass：

153.18

EC Number：

422-450-0

UNII：

1WEZ91E3Z0

DSSTox ID：

DTXSID90152522

Characteristics

PSA：

55.5

XLogP3：

-0.2

Appearance：

Solid

Density：

1.161±0.06 g/cm3(Predicted)

Melting Point：

131-133 °C @ Solvent: Ethanol

Boiling Point：

292.9±25.0 °C(Predicted)

Drug Information

MeSH Entry Terms：

vanillylamine

Computed Properties

Molecular Weight:153.18
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:153.078978594
Monoisotopic Mass:153.078978594
Topological Polar Surface Area:55.5
Heavy Atom Count:11
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes