CAS 146993-12-6

1 2D Structure

CAS 146993-12-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride

2.1.2 InChI

InChI=1S/C13H15N3O.ClH/c14-8-2-4-12-10(6-8)9-5-7(13(15)17)1-3-11(9)16-12;/h1,3,5,8,16H,2,4,6,14H2,(H2,15,17);1H

2.1.3 InChI Key

OWIOWWPDSOTTNG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(CC1N)C3=C(N2)C=CC(=C3)C(=O)N.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Brl 56905

2. Brl-56905

2.2.2 Depositor-Supplied Synonyms

1. 146993-12-6

2. Brl 56905

3. Brl-56905

4. Dtxsid20932995

5. 6-amino-6,7,8,9-tetrahydro-5h-carbazole-3-carboxamide;hydrochloride

6. 1h-carbazole-6-carboxamide, 3-amino-2,3,4,9-tetrahydro-, Monohydrochloride

7. 3-amino-2,3,4,9-tetrahydro-1h-carbazole-6-carboximidic Acid--hydrogen Chloride (1/1)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆ClN₃O
Molecular Weight	265.74 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	265.0981898 g/mol
Monoisotopic Mass	265.0981898 g/mol
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	320
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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