Home Aminos trans-4-amino-1-methyl-3-pyrrolidinol

trans-4-amino-1-methyl-3-pyrrolidinol

CAS No.:
1375066-18-4
Catalog Number:
AG00J21C
Molecular Formula:
C5H12N2O
Molecular Weight:
116.1616
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Product Description
Catalog Number:
AG00J21C
Chemical Name:
trans-4-amino-1-methyl-3-pyrrolidinol
CAS Number:
1375066-18-4
Molecular Formula:
C5H12N2O
Molecular Weight:
116.1616
MDL Number:
MFCD30728494
IUPAC Name:
(3R,4R)-4-amino-1-methylpyrrolidin-3-ol
InChI:
InChI=1S/C5H12N2O/c1-7-2-4(6)5(8)3-7/h4-5,8H,2-3,6H2,1H3/t4-,5-/m1/s1
InChI Key:
CIQOTANLSZEILP-RFZPGFLSSA-N
SMILES:
CN1C[C@@H]([C@H](C1)N)O
Properties
Complexity:
86.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
116.095g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
116.164g/mol
Monoisotopic Mass:
116.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Properties