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N,N-Diethylbenzamide

N,N-Diethylbenzamide structure

CAS No:
1696-17-9
Formula:
C11H15NO
Chemical Name:
N,N-Diethylbenzamide
Synonyms:
Benzamide,N,N-diethyl-;N,N-Diethylbenzamide;Benzoic acid diethylamide;R 2;Benzoyldiethylamine;R 2 (insect repellent);Benzoic acid N,N-diethylamide;Rebemid;Rebemide;NSC 16060
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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N,N-Diethylbenzamide Basic Attributes

Molecular Weight：

177.24300

Exact Mass：

177.24

EC Number：

216-912-9

UNII：

3Y74433ZXI

NSC Number：

16060

DSSTox ID：

DTXSID0051784

HScode：

2924299090

Characteristics

PSA：

20.31000

XLogP3：

2.16860

Density：

1.010 g/cm³ @ Temp: 20 °C

Melting Point：

127-128 °C

Boiling Point：

130-132 °C @ Press: 9 Torr

Flash Point：

125.5ºC

Refractive Index：

1.518

Vapor Pressure：

0.0023mmHg at 25°C

Safety Information

hazard class code：

R21/22

safety instructions：

S36/37

RTECS Number：

CV4202000

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, 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：

N,N-diethylbenzamide

N,N-Diethylbenzamide Use and Manufacturing

Manufacturing Info：

Benzamide, N,N-diethyl-: ACTIVE

Computed Properties

Molecular Weight:177.24
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:177.115364102
Monoisotopic Mass:177.115364102
Topological Polar Surface Area:20.3
Heavy Atom Count:13
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes