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CAS 146993-12-6
PharmaCompass
CAS 146993-12-6
Also known as: Ac1l2rcf, 3-amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole, 146993-12-6, 6-amino-6,7,8,9-tetrahydro-5h-carbazole-3-carboxamide hydrochloride, 1h-carbazole-6-carboxamide, 3-amino-2,3,4,9-tetrahydro-, monohydrochloride
Molecular Formula
C13H16ClN3O
Molecular Weight
265.741  g/mol
InChI Key
OWIOWWPDSOTTNG-UHFFFAOYSA-N

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 Depositor-Supplied Synonyms

1. Ac1l2rcf

2. 3-amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole

3. 146993-12-6

4. 6-amino-6,7,8,9-tetrahydro-5h-carbazole-3-carboxamide Hydrochloride

5. 1h-carbazole-6-carboxamide, 3-amino-2,3,4,9-tetrahydro-, Monohydrochloride

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 265.741 g/mol
Molecular Formula C13H16ClN3O
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass265.098 g/mol
Monoisotopic Mass265.098 g/mol
Topological Polar Surface Area84.9 A^2
Heavy Atom Count18
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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