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

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

CAS No:
133307-97-8
Formula:
C24H28N4O2
Chemical Name:
4-nitro-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-(4-nitrophenyl);

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

Molecular Weight：

404.50500

Exact Mass：

404.22122615

Characteristics

PSA：

73.45000

XLogP3：

5.80910

Density：

1.31g/cm3

Boiling Point：

618ºC at 760 mmHg

Flash Point：

327.6ºC

Refractive Index：

1.684

Vapor Pressure：

3.34E-15mmHg at 25°C

Computed Properties

Molecular Weight:404.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:404.22122615
Monoisotopic Mass:404.22122615
Topological Polar Surface Area:73.4
Heavy Atom Count:30
Complexity:646
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-nitro-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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