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85068-70-8 | Piperidine,1-(2-chloroethyl)-3-methyl-, hydrochloride (1:1)
CAS No: 85068-70-8 Catalog No: AG004S7E MDL No:MFCD21602640
Product Description
Catalog Number:
AG004S7E
Chemical Name:
Piperidine,1-(2-chloroethyl)-3-methyl-, hydrochloride (1:1)
CAS Number:
85068-70-8
Molecular Formula:
C8H17Cl2N
Molecular Weight:
198.1333
MDL Number:
MFCD21602640
IUPAC Name:
1-(2-chloroethyl)-3-methylpiperidine;hydrochloride
InChI:
InChI=1S/C8H16ClN.ClH/c1-8-3-2-5-10(7-8)6-4-9;/h8H,2-7H2,1H3;1H
InChI Key:
TZEIEZGMTAMTBK-UHFFFAOYSA-N
SMILES:
ClCC[NH+]1CCCC(C1)C.[Cl-]
EC Number:
285-328-4
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.131g/mol
Monoisotopic Mass:
197.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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