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101257-71-0 | Piperidine, 2,2,4-trimethyl-
CAS No: 101257-71-0 Catalog No: AG00043C MDL No:MFCD19217655
Product Description
Catalog Number:
AG00043C
Chemical Name:
Piperidine, 2,2,4-trimethyl-
CAS Number:
101257-71-0
Molecular Formula:
C8H17N
Molecular Weight:
127.2273
MDL Number:
MFCD19217655
IUPAC Name:
2,2,4-trimethylpiperidine
InChI:
InChI=1S/C8H17N/c1-7-4-5-9-8(2,3)6-7/h7,9H,4-6H2,1-3H3
InChI Key:
AIRGIADVPCTKHU-UHFFFAOYSA-N
SMILES:
CC1CCNC(C1)(C)C
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.136g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.231g/mol
Monoisotopic Mass:
127.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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