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79069-50-4

Basic Information
CAS No.: 79069-50-4
Name: Boc-L-alaninal
Article Data: 2
Molecular Structure:
Molecular Structure of 79069-50-4 (Boc-L-alaninal)
Formula: C8H15NO3
Molecular Weight: 173.212
Synonyms: Carbamicacid, (1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid,[(1S)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI);((S)-1-Methyl-2-oxo-ethyl)carbamic acid tert-butyl ester;((S)-1-Methyl-2-oxoethyl)carbamic acid tert-butyl ester;(S)-2-(((tert-Butoxy)carbonyl)amino)propanal;(S)-2-(tert-Butoxycarbonylamino)propionaldehyde;BOC-alaninal;N-(tert-Butoxycarbonyl)-L-alaninal;N-(tert-Butoxycarbonyl)alaninal;tert-Butyl((S)-1-methyl-2-oxoethyl)carbamate;tert-Butyl(1S)-1-methyl-2-oxoethylcarbamate;tert-ButylN-[(S)-1-methyl-2-oxoethyl]carbamate;
Density: 1.015 g/cm3
Melting Point: 76-77 °C
Boiling Point: 248.5 °C at 760 mmHg
Flash Point: 104.1 °C
PSA: 55.40000
LogP: 1.48940
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  • Shanghai Yuanding Chem. Sci. & Tech. Co., Ltd.

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    Business Type:Lab/Research institutions

    Tel:86-21-57721279

    Address:Science and Technology Park, Songjiang District, Shanghai, China

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  • Boc-Ala-aldehyde

  • Casno:

    79069-50-4

    Boc-Ala-aldehyde

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Apeptide is a famous-peptide manufacturer in China,We supply high quality peptides(Custom Peptides\Amino acids\API pepitdes and so on )with the best competitive price and short lead time.,Please check our website: www.apeptides.com/en/Appearance:pow

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  • (S)-(1-Methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

  • Casno:

    79069-50-4

    (S)-(1-Methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    R & D enterprises have their own stock in stockAppearance:To be subject to the object Package:Customized Application:pharmaceutical intermediates Transportation:Air Port:Shanghai;Guangzhou

    Nanjing Norris Pharm Technology Co., Ltd., born in July, 2012, is a new company registered in Nanjing, Jiangsu Province,China. Norris grows tremendously since 2012.Till Dec.31,2015

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    Business Type:Lab/Research institutions

    Tel:+86-13901585132

    Address:2 Qiande Road, Jiangning sciencepark Hi-Tech Zone, Nanjing, P.R.China

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  • (S)-tert-Butyl (1-oxopropan-2-yl)carbamate

  • Casno:

    79069-50-4

    (S)-tert-Butyl (1-oxopropan-2-yl)carbamate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Shanghai Sunway Corporation Ltd., a high-tech enterprise specializing in R&D, synthesis, and sales of MOF/COF Ligands, fine chemicals and pharmaceutical intermediates. We have established long-term and good business relationship with suppliers

    Shanghai Sunway Corp Ltd.manufacture and distribute fine chemicals, pharm grade raw material, excipients,Metal Organic Framework materials, intermediate, solutions etc.

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    Address:Shanghai Pudong District College Town Beautiful The Way 4 Building 1, 1628-2 Layer

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  • (1-Methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

  • Casno:

    79069-50-4

    (1-Methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    At Capot,We can synthesize and purify your complex molecules from 100 gram to 10 tons.Appearance:Clear colorless to light yellow liquid Storage:Dry,Seal and Cool place Package:1G,5G,10G,25G,100G,250G,500G,1KG,5KG,10KG,25KG,50KG,100KG,150KG,200KG. App

    Welcome to Capot . Established in 1996 ,Capot Chemical Co.,Ltd is a fine organics manufacturing facility which located in Hangzhou,P.R.China. We produce a wide range of organics,

  • Capot Chemical Co., Ltd.

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    Business Type:Lab/Research institutions

    Tel:86-571-85586718

    Address:join hands science park,NO.4028 nanhuan road,hanghzou ,zhejiang,china

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Specification

The Boc-L-alaninal, its cas register number is 79069-50-4. It also can be called as Boc-L-alanine aldehyde and the IUPAC name about this chemical is tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate. It belongs to the N-BOC. If you want to store this chemical, the temperature must below -20°C.

Physical properties about Boc-L-alaninal are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.06; (6)ACD/BCF (pH 7.4): 5.06; (7)ACD/KOC (pH 5.5): 111.15; (8)ACD/KOC (pH 7.4): 111.14; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 44.59 cm3; (15)Molar Volume: 170.6 cm3; (16)Polarizability: 17.67x10-24cm3; (17)Surface Tension: 31.5 dyne/cm; (18)Enthalpy of Vaporization: 48.57 kJ/mol; (19)Vapour Pressure: 0.0241 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C=O)NC(=O)OC(C)(C)C
(2)Isomeric SMILES: C[C@@H](C=O)NC(=O)OC(C)(C)C
(3)InChI: InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1
(4)InChIKey: OEQRZPWMXXJEKU-LURJTMIESA-N