Boc-dab-OMe hydrochloride

CAT: 0926-ZLB68551-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-ZLB68551-01Size:0.25 g

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

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CAS Number

924685-51-8

Smiles

CC (C) (C) OC (=O) NC (CCN) C (=O) OC.Cl

Molecular Formula

C10H20N2O4•HCl

Molecular Weight

268.74 g/mol

Controlled

Chemical Information

Methyl (S)-4-amino-2-((tert-butoxycarbonyl)amino)butanoate hydrochloride

CAS Number	924685-51-8
PubChem CID	87444641
IUPAC Name	methyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;hydrochloride
Molecular Formula	C10H21ClN2O4
Molecular Weight	268.74
Topological Polar Surface Area	90.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	248

SMILES

CC(C)(C)OC(=O)N[C@@H](CCN)C(=O)OC.Cl

InChI

InChI=1S/C10H20N2O4.ClH/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4;/h7H,5-6,11H2,1-4H3,(H,12,14);1H/t7-;/m0./s1

InChIKey

XVZVKSUGOKHVGF-FJXQXJEOSA-N

Chemical Structure

2D Structure

CAS: 924685-51-8

CID: 87444641

Formula: C10H21ClN2O4

MW: 268.74

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	268.74
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	268.1189848
Monoisotopic Mass	268.1189848
Topological Polar Surface Area	90.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	248
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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