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4-(Dimethylamino)benzoin

4-(Dimethylamino)benzoin structure

CAS No:
6317-85-7
Formula:
C16H17NO2
Chemical Name:
4-(Dimethylamino)benzoin
Synonyms:
Ethanone,1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenyl-;Benzoin,4-(dimethylamino)-;1-[4-(Dimethylamino)phenyl]-2-hydroxy-2-phenylethanone;4-(Dimethylamino)benzoin;4-(N,N-Dimethylamino)benzoin;1-Phenyl-1-hydroxy-2-(4-dimethylaminophenyl)-2-ethanone;2-(4-Dimethylaminophenyl)-2-oxo-1-phenylethanol;NSC 10568;NSC 26817
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-(Dimethylamino)benzoin Basic Attributes

Molecular Weight：

255.312

Exact Mass：

255.31

EC Number：

228-659-1

NSC Number：

26817|10568

HScode：

2922509090

Characteristics

PSA：

40.54000

XLogP3：

2.57

Density：

1.2±0.1 g/cm3

Melting Point：

163-164 °C

Boiling Point：

439.6±35.0 °C at 760 mmHg

Flash Point：

219.7±25.9 °C

Refractive Index：

1.621

Safety Information

hazard class code：

36/37/38

safety instructions：

S26-S37-S39

Marks：

GHS Classification：

|Danger|H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-(Dimethylamino)benzoin Use and Manufacturing

Manufacturing Info：

Ethanone, 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenyl-: INACTIVE

Computed Properties

Molecular Weight:255.31
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:255.125928785
Monoisotopic Mass:255.125928785
Topological Polar Surface Area:40.5
Heavy Atom Count:19
Complexity:289
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes