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2748-02-9 molecular structure
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tert-butyl (2S)-2-amino-4-methylpentanoate hydrochloride

ChemBase ID: 55680
Molecular Formular: C10H22ClNO2
Molecular Mass: 223.74018
Monoisotopic Mass: 223.13390663
SMILES and InChIs

SMILES:
C(=O)(OC(C)(C)C)[C@H](CC(C)C)N.Cl
Canonical SMILES:
CC(C[C@@H](C(=O)OC(C)(C)C)N)C.Cl
InChI:
InChI=1S/C10H21NO2.ClH/c1-7(2)6-8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t8-;/m0./s1
InChIKey:
RFUWRXIYTQGFGA-QRPNPIFTSA-N

Cite this record

CBID:55680 http://www.chembase.cn/molecule-55680.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2S)-2-amino-4-methylpentanoate hydrochloride
IUPAC Traditional name
tert-butyl (2S)-2-amino-4-methylpentanoate hydrochloride
Synonyms
tert-Butyl L-leucinate hydrochloride
L-Leucine tert-butyl ester hydrochloride
tert-butyl (2S)-2-amino-4-methylpentanoate hydrochloride
H-Leu-OtBu HCl
CAS Number
2748-02-9
MDL Number
MFCD00038906
Beilstein Number
3697141
PubChem SID
24896301
162060443
24886693
PubChem CID
12451443

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.009986944  LogD (pH = 7.4) 1.5796559 
Log P 1.8752526  Molar Refractivity 52.7456 cm3
Polarizability 21.43788 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.255 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
≥98.0% (TLC) expand Show data source
95% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)2CHCH2CH(NH2)COOC(CH3)3 · HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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