AG00CLLZ

3470-55-1 | 2-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

AG00CLLZ

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CAS Number	3470-55-1
Catalog Number	AG00CLLZ(AGN-PC-0RA2GN)
Chemical Name	2-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
IUPAC Name	2-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
InChI	InChI=1S/C11H13NO/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7H,1-4,12H2
InChI Key	RPQHEIVMOVOUEJ-UHFFFAOYSA-N
MDL Number	MFCD11036256
Molecular Formula	C11H13NO
Molecular Weight	175.2270
SMILES	O=C1CCCCC2=CC(N)=CC=C21
Synonyms	2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, 3470-55-1, 2-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, SCHEMBL3204625, CTK8C0658, KS-00000QBV, DTXSID80457896, RPQHEIVMOVOUEJ-UHFFFAOYSA-N, 4213AB, ANW-65044, MFCD11036256, ZINC38338584, AKOS006308305, DS-4033, AJ-95102, AK103172, TC-153789, ST24039950, 2-amino-6,7,8,9-tetrahydro-benzocyclohepten-5-one, 5H-Benzocyclohepten-5-one,2-amino-6,7,8,9-tetrahydro-, 7-amino benzosuberone, C11H13NO, CID11182932, 10-aminobicyclo[5.4.0]undeca-8,10,12-trien-6-one,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.231g/mol
Monoisotopic Mass	175.1g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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