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1993159-82-2,MFCD13186226
Catalog No.:AA00J1HE
1993159-82-2 | N-methyl-N-(1-methyl-3-pyrrolidinyl)-beta-alanine hydrochloride
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1g
95%
in stock  
$112.00   $78.00
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Technical Information
Catalog Number:
AA00J1HE
Chemical Name:
N-methyl-N-(1-methyl-3-pyrrolidinyl)-beta-alanine hydrochloride
CAS Number:
1993159-82-2
Molecular Formula:
C9H19ClN2O2
Molecular Weight:
222.7124
MDL Number:
MFCD13186226
IUPAC Name:
3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanoic acid;hydrochloride
InChI:
InChI=1S/C9H18N2O2.ClH/c1-10-5-3-8(7-10)11(2)6-4-9(12)13;/h8H,3-7H2,1-2H3,(H,12,13);1H
InChI Key:
DWBYXWXRIWBQDS-UHFFFAOYSA-N
SMILES:
CN1CCC(C1)N(CCC(=O)O)C.Cl
Properties
Computed Properties
 
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.114g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.713g/mol
Monoisotopic Mass:
222.114g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
N-Methyl-N-(1-methyl-3-pyrrolidinyl)-beta-alanine hydrochloride 
1993159-82-2 
ZX-CM004845 
MFCD13186226 
915925-24-5 
Literature
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