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3-N-[(Z)-[4-[bis(2-chloroethyl)amino]-5-ethoxy-2-methylphenyl]methylideneamino]-1,2,4-triazole-3,4-diamine,hydrochloride

3-N-[(Z)-[4-[bis(2-chloroethyl)amino]-5-ethoxy-2-methylphenyl]methylideneamino]-1,2,4-triazole-3,4-diamine,hydrochloride structure

CAS No:
26112-87-8
Formula:
C16H24Cl3N7O
Chemical Name:
3-N-[(Z)-[4-[bis(2-chloroethyl)amino]-5-ethoxy-2-methylphenyl]methylideneamino]-1,2,4-triazole-3,4-diamine,hydrochloride
Synonyms:
o-Tolualdehyde,(4-amino-4H-1,2,4-triazol-3-yl)hydrazone,monohydrochloride;

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3-N-[(Z)-[4-[bis(2-chloroethyl)amino]-5-ethoxy-2-methylphenyl]methylideneamino]-1,2,4-triazole-3,4-diamine,hydrochloride Basic Attributes

Molecular Weight：

436.76700

Exact Mass：

435.110791

NSC Number：

102880

DSSTox ID：

DTXSID30715453

Characteristics

PSA：

96.82000

XLogP3：

3.23410

Density：

1.36g/cm3

Boiling Point：

595ºC

Flash Point：

310.9ºC

Refractive Index：

1.622

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:436.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:435.110791
Monoisotopic Mass:435.110791
Topological Polar Surface Area:93.6
Heavy Atom Count:27
Complexity:425
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 3-N-[(Z)-[4-[bis(2-chloroethyl)amino]-5-ethoxy-2-methylphenyl]methylideneamino]-1,2,4-triazole-3,4-diamine,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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