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102259-71-2 | 1(2H)-Quinolineethanamine, 3,4-dihydro-2-methyl-, acetate (1:1)
CAS No: 102259-71-2 Catalog No: AG00072C MDL No:
Product Description
Catalog Number:
AG00072C
Chemical Name:
1(2H)-Quinolineethanamine, 3,4-dihydro-2-methyl-, acetate (1:1)
CAS Number:
102259-71-2
Molecular Formula:
C14H22N2O2
Molecular Weight:
250.3367
IUPAC Name:
acetic acid;2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
InChI:
InChI=1S/C12H18N2.C2H4O2/c1-10-6-7-11-4-2-3-5-12(11)14(10)9-8-13;1-2(3)4/h2-5,10H,6-9,13H2,1H3;1H3,(H,3,4)
InChI Key:
RVUZYQTZWOCHAE-UHFFFAOYSA-N
SMILES:
CC(=O)O.NCCN1C(C)CCc2c1cccc2
NSC Number:
159958
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.342g/mol
Monoisotopic Mass:
250.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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