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1217813-15-4 | Carbamic acid, N-[(2S)-2-pyrrolidinylmethyl]-, 9H-fluoren-9-ylmethyl ester, hydrochloride (1:1)
CAS No: 1217813-15-4 Catalog No: AG001600 MDL No:
Product Description
Catalog Number:
AG001600
Chemical Name:
Carbamic acid, N-[(2S)-2-pyrrolidinylmethyl]-, 9H-fluoren-9-ylmethyl ester, hydrochloride (1:1)
CAS Number:
1217813-15-4
Molecular Formula:
C20H23ClN2O2
Molecular Weight:
358.8618
IUPAC Name:
9H-fluoren-9-ylmethyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
InChI:
InChI=1S/C20H22N2O2.ClH/c23-20(22-12-14-6-5-11-21-14)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;/h1-4,7-10,14,19,21H,5-6,11-13H2,(H,22,23);1H/t14-;/m0./s1
InChI Key:
UHOBWBFDVGTBKK-UQKRIMTDSA-N
SMILES:
O=C(NC[C@@H]1CCCN1)OCC1c2ccccc2c2c1cccc2.Cl
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
358.145g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
358.866g/mol
Monoisotopic Mass:
358.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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