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13322-66-2 | Alanine, N,N-bis(2-chloroethyl)-
CAS No: 13322-66-2 Catalog No: AG0014FK MDL No:
Product Description
Catalog Number:
AG0014FK
Chemical Name:
Alanine, N,N-bis(2-chloroethyl)-
CAS Number:
13322-66-2
Molecular Formula:
C7H13Cl2NO2
Molecular Weight:
214.0896
IUPAC Name:
2-[bis(2-chloroethyl)amino]propanoic acid
InChI:
InChI=1S/C7H13Cl2NO2/c1-6(7(11)12)10(4-2-8)5-3-9/h6H,2-5H2,1H3,(H,11,12)
InChI Key:
NRIFCKOLJVDPTP-UHFFFAOYSA-N
SMILES:
ClCCN([C@H](C(=O)O)C)CCCl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.086g/mol
Monoisotopic Mass:
213.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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