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215794-24-4 | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-5-CARBONITRILE HYDROCHLORIDE
CAS No: 215794-24-4 Catalog No: AG00BCM1 MDL No:MFCD07369985
Product Description
Catalog Number:
AG00BCM1
Chemical Name:
1,2,3,4-TETRAHYDRO-ISOQUINOLINE-5-CARBONITRILE HYDROCHLORIDE
CAS Number:
215794-24-4
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD07369985
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-5-carbonitrile
InChI:
InChI=1S/C10H10N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-3,12H,4-5,7H2
InChI Key:
BTLCQUCMNTUJNV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1CCNC2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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