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1220040-14-1 | 1H-Indole-1-carboxylic acid, 3-amino-2,3-dihydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1220040-14-1 Catalog No: AG0016LL MDL No:MFCD15474903
Product Description
Catalog Number:
AG0016LL
Chemical Name:
1H-Indole-1-carboxylic acid, 3-amino-2,3-dihydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1220040-14-1
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
MDL Number:
MFCD15474903
IUPAC Name:
tert-butyl 3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H18N2O2.ClH/c1-13(2,3)17-12(16)15-8-10(14)9-6-4-5-7-11(9)15;/h4-7,10H,8,14H2,1-3H3;1H
InChI Key:
VDTHFAORQFMCLV-UHFFFAOYSA-N
SMILES:
O=C(N1CC(c2c1cccc2)N)OC(C)(C)C.Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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