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2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate

2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate structure

CAS No:
125659-91-8
Formula:
C20H28N4O6
Chemical Name:
2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Synonyms:
(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid,bis(2-methylpropyl) ester;

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2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate Basic Attributes

Molecular Weight：

420.46000

Exact Mass：

420.20088463 g/mol

DSSTox ID：

DTXSID90154844

Characteristics

PSA：

123.80000

XLogP3：

1.24160

Density：

1.33g/cm3

Boiling Point：

504.9ºC

Flash Point：

259.2ºC

Refractive Index：

1.588

Vapor Pressure：

2.54E-10mmHg at 25°C

Computed Properties

Molecular Weight:420.5
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:420.20088463
Monoisotopic Mass:420.20088463
Topological Polar Surface Area:117
Heavy Atom Count:30
Complexity:753
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate

Basic Attributes
Characteristics
Computed Properties
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