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Cas Database

Name	Boc-L-alaninal	EINECS	N/A
CAS No.	79069-50-4	Density	1.015 g/cm³
PSA	55.40000	LogP	1.48940
Solubility	N/A	Melting Point	76-77 °C
Formula	C₈H₁₅NO₃	Boiling Point	248.5 °C at 760 mmHg
Molecular Weight	173.212	Flash Point	104.1 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;	Article Data	2

Boc-L-alaninal 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

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