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Dihydroxybenzylamine

Dihydroxybenzylamine structure

CAS No:
37491-68-2
Formula:
C7H9NO2
Chemical Name:
Dihydroxybenzylamine
Synonyms:
1,2-Benzenediol,4-(aminomethyl)-;Pyrocatechol,4-(aminomethyl)-;4-(Aminomethyl)-1,2-benzenediol;3,4-Dihydroxybenzylamine;DHBA;[(3,4-Dihydroxyphenyl)methyl]amine;(3,4-Dihydroxyphenyl)methanamine;Dihydroxybenzylamine
Categories:
Organic Chemistry > Amides

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Description

Solid

3,4-dihydroxybenzylamine is a member of catechols.

Dihydroxybenzylamine Basic Attributes

Molecular Weight：

139.15

Exact Mass：

139.15

EC Number：

240-382-8

Characteristics

PSA：

66.5 Å²

Density：

1.309±0.06 g/cm3

Melting Point：

158 °C

Boiling Point：

333.4±27.0 °C(Predicted)

PKA：

8.81±0.31

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4-dihydroxybenzylamine

Computed Properties

Molecular Weight:139.15
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.063328530
Monoisotopic Mass:139.063328530
Topological Polar Surface Area:66.5
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes