N,N'-bis-(2-Chloroethyl)urea
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N,N'-bis-(2-Chloroethyl)urea
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CAS No:
2214-72-4
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Formula:
C5H10CL2N2O
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Chemical Name:
N,N'-bis-(2-Chloroethyl)urea
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Synonyms:
BCU;NSC36198;CarMustineRelatedCoMpoundA;CarmustineRelatedCompoundA(10mg)(1,3-bis(2-chloroethyl)urea)
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CAS No:
N,N'-bis-(2-Chloroethyl)urea Basic Attributes
185.05
184.01700
67617YV44S
36198
DTXSID40176672
2924199090
Characteristics
41.1
1.54500
1.245g/cm3
128-129 °C
358.2ºC at 760mmHg
170.4ºC
1.478
2.59E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
P201, P202, P264, P270, P281, P301+P310, P308+P313, P321, P330, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P310, P308+P313, P321, P330, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N,N'-bis-(2-Chloroethyl)urea Use and Manufacturing
1,3-Bis(2-chloroethyl)urea is an impurity in the synthesis of Carmustine (C183875), an alkylating and carbamoylating nitrosourea compound.It interacts with DNA, RNA and proteins causing DNA interstrand cross linking which is cytotoxic and leads to apoptotic cell death.
Computed Properties
Molecular Weight:185.05
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:184.0170183
Monoisotopic Mass:184.0170183
Topological Polar Surface Area:41.1
Heavy Atom Count:10
Complexity:89.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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