Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl

HCID 20754CAS 4638-44-2
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Basic information

Standard SMILES
O=C(c1cccc(N(CCCl)CCCl)c1)N1CC1
InChIKey
AYYTWDLVGKCOER-UHFFFAOYSA-N
Molecular formula
C13H16Cl2N2O
Average molar mass
287.18 g/mol
Monoisotopic mass
286.06396849

Names & identifiers

Preferred name
Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl
IUPAC
aziridin-1-yl-[3-[bis(2-chloroethyl)amino]phenyl]methanone
English name
1-Aziridinyl m-[bis(2-chloroethyl)amino]phenyl ketone
Molecular formula
C13H16Cl2N2O
Molecular weight
287.18494

Names & synonyms

KETONE, 1-AZIRIDINYL m-(BIS(2-CHLOROETHYL)AMINO)PHENYL4638-44-2DTXSID30196824RefChem:350385DTXCID70119315(Aziridin-1-yl){3-[bis(2-chloroethyl)amino]phenyl}methanone1-Aziridinyl m-[bis(2-chloroethyl)amino]phenyl ketone

Database identifiers

CAS
4638-44-2
PubChem CID
20754
DTXSID
DTXSID30196824
Nikkaji
J96.768H

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
23.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
18

Physicochemical properties

Density
1.3247 · 1.3247 (rough estimate)
refractive index
1.549 · 1.5490 (estimate)
form
A liquid
Toxicity
50 unr-rat: · LD50 unr-rat: 69 mg/kg NEOLA4 27,261,80

Safety & regulation

Safety data

Toxicity
LD50 unr-rat: 69 mg/kg NEOLA4 27,261,80

Related reactions

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Linked notes

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