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1188264-02-9 | 1-(Boc-amino)-3-(methylamino)propane Hydrochloride
CAS No: 1188264-02-9 Catalog No: AG0032IY MDL No:MFCD11101326
Product Description
Catalog Number:
AG0032IY
Chemical Name:
1-(Boc-amino)-3-(methylamino)propane Hydrochloride
CAS Number:
1188264-02-9
Molecular Formula:
C9H21ClN2O2
Molecular Weight:
224.7282
MDL Number:
MFCD11101326
IUPAC Name:
tert-butyl N-[3-(methylamino)propyl]carbamate;hydrochloride
InChI:
InChI=1S/C9H20N2O2.ClH/c1-9(2,3)13-8(12)11-7-5-6-10-4;/h10H,5-7H2,1-4H3,(H,11,12);1H
InChI Key:
KKHKFPWJJYTAGE-UHFFFAOYSA-N
SMILES:
CNCCCNC(=O)OC(C)(C)C.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.129g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.729g/mol
Monoisotopic Mass:
224.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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