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N-Boc-L-tert-Leucine(CAS No. 62965-35-9)

N-Boc-L-tert-Leucine C11H21NO4 (cas 62965-35-9) Molecular Structure

62965-35-9 Structure

Identification and Related Records

【Name】
N-Boc-L-tert-Leucine
【Iupac name】
(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
【CAS Registry number】
62965-35-9
【Synonyms】
Boc-Tle-OH
(2S)-2-(tert-Butoxycarbonylamino)-3,3-dimethylbutanoicacid
(S)-2-(((tert-Butoxy)carbonyl)amino)-3,3-dimethylbutanoic acid
(S)-2-tert-Butoxycarbonylamino-3,3-dimethylbutyric acid
BOC-L-tert-leucine
【Molecular Formula】
C11H21NO4 (Products with the same molecular formula)
【Molecular Weight】
231.29
【Inchi】
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/p-1/t7-/m1/s1
【Canonical SMILES】
CC(C)(C)C(C(=O)[O-])NC(=O)OC(C)(C)C
【Isomers smiles】
CC(C)(C)[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
【MOL File】
62965-35-9.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
1.063 g/cm3
【Melting Point】
118-121℃
【Boiling Point】
350 °C at 760 mmHg
【Flash Point】
165.5 °C
【Alpha】
-4.2 º (C=1% IN GLACIAL ACETIC ACID)
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:230.2808 [g/mol]
Molecular Formula:C11H20NO4-
XLogP3-AA:2.9
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:230.139233
MonoIsotopic Mass:230.139233
Topological Polar Surface Area:78.5
Heavy Atom Count:16
Formal Charge:-1
Complexity:267
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:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:17

Safety and Handling

【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Safety】

Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
HazardClass: IRRITANT

【Specification】

 N-Boc-L-tert-Leucine , its cas register number is 62965-35-9. It also can be called N-(tert-Butoxycarbonyl)-L-tert-leucine ; (S)-N-Boc-2-Amino-3,3-dimethylbutyric acid .It is a white crystalline powder.

Supplier Location

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