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41052-94-2 | 1-TERT-BUTYLAMINO-3-CHLORO-2-PROPANOL HYDROCHLORIDE
CAS No: 41052-94-2 Catalog No: AG00BYZT MDL No:MFCD00191401
Product Description
Catalog Number:
AG00BYZT
Chemical Name:
1-TERT-BUTYLAMINO-3-CHLORO-2-PROPANOL HYDROCHLORIDE
CAS Number:
41052-94-2
Molecular Formula:
C7H17Cl2NO
Molecular Weight:
202.1220
MDL Number:
MFCD00191401
IUPAC Name:
1-(tert-butylamino)-3-chloropropan-2-ol;hydrochloride
InChI:
InChI=1S/C7H16ClNO.ClH/c1-7(2,3)9-5-6(10)4-8;/h6,9-10H,4-5H2,1-3H3;1H
InChI Key:
QWXUJPJVNKCDKJ-UHFFFAOYSA-N
SMILES:
ClCC(CNC(C)(C)C)O.Cl
NSC Number:
263622
Properties
Complexity:
90.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.119g/mol
Monoisotopic Mass:
201.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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