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N-(2-chloroethyl)-N'-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine,hydrate,tetrahydrochloride

N-(2-chloroethyl)-N'-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine,hydrate,tetrahydrochloride structure

CAS No:
77862-55-6
Formula:
C28H36Cl6F6N6O
Chemical Name:
N-(2-chloroethyl)-N'-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine,hydrate,tetrahydrochloride
Synonyms:
ICR 348;

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N-(2-chloroethyl)-N'-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine,hydrate,tetrahydrochloride Basic Attributes

Molecular Weight：

799.33300

Exact Mass：

798.095645

DSSTox ID：

DTXSID10228475

Characteristics

PSA：

83.13000

XLogP3：

11.05930

Boiling Point：

442ºC

Flash Point：

221.1ºC

Computed Properties

Molecular Weight:799.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:798.095645
Monoisotopic Mass:796.098595
Topological Polar Surface Area:74.9
Heavy Atom Count:47
Complexity:314
Covalently-Bonded Unit Count:7
Compound Is Canonicalized:Yes

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Guide of N-(2-chloroethyl)-N'-[7-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine,hydrate,tetrahydrochloride

Basic Attributes
Characteristics
Computed Properties

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