N-Boc-DL-Valinol

CAT: 0127-OR1030048-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1030048-01Size:100 mg

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CAS Number

169556-48-3

Synonyms

Tert-butyl N- (1-hydroxy-3-methylbutan-2-yl) carbamate

Purity

99%

Smiles

CC(C)C(CO)NC(=O)OC(C)(C)C

Chemical Information

N-Boc-DL-valinol

CAS Number	169556-48-3
PubChem CID	545981
IUPAC Name	tert-butyl N-(1-hydroxy-3-methylbutan-2-yl)carbamate
Molecular Formula	C10H21NO3
Molecular Weight	203.28
XLogP	1.6
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	184

SMILES

CC(C)C(CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)

InChIKey

OOQRRYDVICNJGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 169556-48-3

CID: 545981

Formula: C10H21NO3

MW: 203.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.28
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	203.15214353
Monoisotopic Mass	203.15214353
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	184
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes