Tert-butyl valinate

CAT: 0127-OR1005820-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1005820-01Size:250 mg

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CAS Number

6070-59-3

Purity

98%

Smiles

NC(C(C)C)C(OC(C)(C)C)=O

Chemical Information

Tert-butyl 2-amino-3-methylbutanoate

CAS Number	6070-59-3
PubChem CID	4532027
IUPAC Name	tert-butyl 2-amino-3-methylbutanoate
Molecular Formula	C9H19NO2
Molecular Weight	173.25
XLogP	1.6
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	158

SMILES

CC(C)C(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C9H19NO2/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7H,10H2,1-5H3

InChIKey

RJBVJBGFJIHJSZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6070-59-3

CID: 4532027

Formula: C9H19NO2

MW: 173.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.25
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	173.141578849
Monoisotopic Mass	173.141578849
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158
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

Catalog	Name
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OR1091695-01	Tert-butyl 3- (tert-butyl) -4-ethoxybenzoate
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OR1057155-01	Tert-Butyl propylcarbamate
OR1003422-01	Tert-Butyl formate

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