Boc-DL-Leucinol

CAT: 0127-OR941390-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR941390-01Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

142121-48-0

MDL Number

MFCD01883028

Purity

97%

Smiles

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

Chemical Information

tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate

CAS Number	142121-48-0
PubChem CID	546110
IUPAC Name	tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
Molecular Formula	C11H23NO3
Molecular Weight	217.31
XLogP	2
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	196

SMILES

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

InChI

InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)

InChIKey

LQTMEOSBXTVYRM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142121-48-0

CID: 546110

Formula: C11H23NO3

MW: 217.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.31
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	217.16779360
Monoisotopic Mass	217.16779360
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	196
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