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1417793-05-5 | 3-Pyrrolidinamine, 1-(3-methoxy-4-nitrophenyl)-, hydrochloride (1:1)
CAS No: 1417793-05-5 Catalog No: AG001H3I MDL No:MFCD22631719
Product Description
Catalog Number:
AG001H3I
Chemical Name:
3-Pyrrolidinamine, 1-(3-methoxy-4-nitrophenyl)-, hydrochloride (1:1)
CAS Number:
1417793-05-5
Molecular Formula:
C11H16ClN3O3
Molecular Weight:
273.7160
MDL Number:
MFCD22631719
IUPAC Name:
1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-amine;hydrochloride
InChI:
InChI=1S/C11H15N3O3.ClH/c1-17-11-6-9(2-3-10(11)14(15)16)13-5-4-8(12)7-13;/h2-3,6,8H,4-5,7,12H2,1H3;1H
InChI Key:
VYFYGNXCKIQGCK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC(C1)N.Cl
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.717g/mol
Monoisotopic Mass:
273.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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