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sec-Butylurea

sec-Butylurea structure

CAS No:
689-11-2
Formula:
C5H12N2O
Chemical Name:
sec-Butylurea
Synonyms:
Urea,N-(1-methylpropyl)-;Urea,sec-butyl-;Urea,(1-methylpropyl)-;N-(1-Methylpropyl)urea;sec-Butylurea;N-sec-Butylurea;NSC 27458;(Butan-2-yl)urea;116668-60-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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sec-Butylurea Basic Attributes

Molecular Weight：

116.16200

Exact Mass：

116.16

EC Number：

211-709-1

NSC Number：

27458

DSSTox ID：

DTXSID8027294

HScode：

2924299090

Characteristics

PSA：

55.12000

XLogP3：

1.54440

Density：

0.959g/cm3

Melting Point：

165-166 °C

Boiling Point：

171.5ºC at 760 mmHg

Flash Point：

57.5ºC

Refractive Index：

1.446

Water Solubility：

SOL IN ALCOHOL, ETHER

Safety Information

Precautionary statement(s)：

P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

sec-Butylurea Use and Manufacturing

Manufacturing Info：

Urea, N-(1-methylpropyl)-: ACTIVE

Analytic Methods：

ALKYLUREAS, INCLUDING SEC-BUTYLUREA, WERE TREATED WITH TRIFLUOROACETIC ACID, & TRIFLUOROACETYLATED ALKYLUREAS WERE DETECTED BY GAS CHROMATOGRAPHY. GAS CHROMATOGRAPHIC-MASS SPECTROMETRIC PATTERNS OF THE 13 TRIFLUOROACETYLATED ALKYLUREAS ARE PRESENTED.

Computed Properties

Molecular Weight:116.16
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:116.094963011
Monoisotopic Mass:116.094963011
Topological Polar Surface Area:55.1
Heavy Atom Count:8
Complexity:82.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 689-11-2

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Content: 98%

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CAS No.: 689-11-2

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