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2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol

2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol structure

CAS No:
16757-47-4
Formula:
C32H39Cl4N5O3
Chemical Name:
2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol
Synonyms:
NSC88654;CTK4D2696;DTXSID10329092;NSC-88654;NSC138564;ZINC150348743;NSC-138564;2-[1,3-Bis({4-[bis(2-chloroethyl)amino]phenyl}methyl)hexahydropyrimidin-2-yl]-4-nitrophenol;Phenol,2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydro-2-pyrimidinyl]-4-nitro-

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2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol Basic Attributes

Molecular Weight：

683.496

Exact Mass：

683.178

NSC Number：

138564|88654

DSSTox ID：

DTXSID10329092

Characteristics

PSA：

XLogP3：

7.1

Density：

1.347±0.06 g/cm3(Predicted)

Boiling Point：

738.1±60.0 °C(Predicted)

Computed Properties

Molecular Weight:683.5
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:15
Exact Mass:683.177751
Monoisotopic Mass:681.180701
Topological Polar Surface Area:79
Heavy Atom Count:44
Complexity:770
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol

Basic Attributes
Characteristics
Computed Properties

2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol

SDS

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