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18933-33-0

18933-33-0 | 1-Propanaminium, 3-cyano-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)

CAS No: 18933-33-0 Catalog No: AG002IAW MDL No:

Product Description

Catalog Number:
AG002IAW
Chemical Name:
1-Propanaminium, 3-cyano-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
CAS Number:
18933-33-0
Molecular Formula:
C7H15ClN2O
Molecular Weight:
178.6598
IUPAC Name:
(3-cyano-2-hydroxypropyl)-trimethylazanium;chloride
InChI:
InChI=1S/C7H15N2O.ClH/c1-9(2,3)6-7(10)4-5-8;/h7,10H,4,6H2,1-3H3;1H/q+1;/p-1
InChI Key:
ZOYKKWXSDFNANU-UHFFFAOYSA-M
SMILES:
N#CCC(C[N+](C)(C)C)O.[Cl-]
EC Number:
242-684-5
NSC Number:
16890

Properties

Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.087g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.66g/mol
Monoisotopic Mass:
178.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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