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1179361-49-9 | Carbamic acid, N-(2-amino-1-methylethyl)-, phenSTART_RECORD
CAS No: 1179361-49-9 Catalog No: AG000I3N MDL No:MFCD11112230
Product Description
Catalog Number:
AG000I3N
Chemical Name:
Carbamic acid, N-(2-amino-1-methylethyl)-, phenSTART_RECORD
CAS Number:
1179361-49-9
Molecular Formula:
C24H24B2N2O6
Molecular Weight:
458.0792
MDL Number:
MFCD11112230
IUPAC Name:
benzyl N-(1-aminopropan-2-yl)carbamate;hydrochloride
InChI:
InChI=1S/C11H16N2O2.ClH/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3,(H,13,14);1H
InChI Key:
XTQGLCRZNBCNJH-UHFFFAOYSA-N
SMILES:
OB(c1cncc(c1)OCc1ccccc1)O.OB(c1cncc(c1)OCc1ccccc1)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.719g/mol
Monoisotopic Mass:
244.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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