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Home > Boronic Acids > 1063700-88-8
1063700-88-8 | (R)-Boro-N(ethyl)-gly-(+)-pinanediol-HCl
CAS No: 1063700-88-8 Catalog No: AG0095QH MDL No:MFCD16621351
Product Description
Catalog Number:
AG0095QH
Chemical Name:
(R)-Boro-N(ethyl)-gly-(+)-pinanediol-HCl
CAS Number:
1063700-88-8
Molecular Formula:
C13H25BClNO2
Molecular Weight:
273.6071
MDL Number:
MFCD16621351
IUPAC Name:
N-[[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]methyl]ethanamine;hydrochloride
InChI:
InChI=1S/C13H24BNO2.ClH/c1-5-15-8-14-16-11-7-9-6-10(12(9,2)3)13(11,4)17-14;/h9-11,15H,5-8H2,1-4H3;1H/t9-,10-,11+,13-;/m0./s1
InChI Key:
QTOMOYUDZRNDQA-VNQUIELQSA-N
SMILES:
CCNCB1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C.Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
273.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.608g/mol
Monoisotopic Mass:
273.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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