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3-chloro-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline

3-chloro-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline structure

CAS No:
133307-95-6
Formula:
C24H28ClN3
Chemical Name:
3-chloro-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline
Synonyms:
Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine,1,2,3,10a-tetrahydro-N-(3-chlorophenyl);

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3-chloro-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline Basic Attributes

Molecular Weight：

393.95200

Exact Mass：

393.1971756

Characteristics

PSA：

27.63000

XLogP3：

6.03110

Density：

1.26g/cm3

Boiling Point：

583.3ºC

Flash Point：

306.6ºC

Refractive Index：

1.665

Vapor Pressure：

1.35E-13mmHg at 25°C

Computed Properties

Molecular Weight:393.9
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:393.1971756
Monoisotopic Mass:393.1971756
Topological Polar Surface Area:27.6
Heavy Atom Count:28
Complexity:570
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-chloro-N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline

Basic Attributes
Characteristics
Computed Properties

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