ChemicalBook CAS DataBase List 13734-41-3

13734-41-3

Name	(S)-2-(Boc-amino)-3-methylbutyric acid
CAS	13734-41-3
EINECS(EC#)	237-307-6
Molecular Formula	C10H19NO4
MDL Number	MFCD00065605
Molecular Weight	217.26
MOL File	13734-41-3.mol

Synonyms

BOC-L-VAL BOC-L-VALINE BOC-L-VALINE-OH BOC-L-VAL-OH BOC-VAL BOC-VALINE BOC-VALINE-OH BOC-VAL-OH L-VALINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]- N-[(1,1-Dimethylethoxy)carbonyl]-L-valine N-ALPHA-T-BOC-L-VALINE N-ALPHA-T-BUTOXYCARBONYL-L-VALINE N-ALPHA-TERT-BUTYLOXYCARBONYL-L-VALINE N-BOC-L-VALINE N-T-BOC-L-VALINE N-T-BUTOXYCARBONYL-L-VALINE N-(TERT-BUTOXYCARBONYL)-L-VALINE (s)-2-(boc-amino)-3-methylbutyric acid (S)-2-(BOC-AMINO)PENTANOIC ACID TBOC-L-VALINE

Chemical Properties

Appearance	white fine crystalline powder
Melting point	77-80 °C(lit.)
alpha	-6.3 º (c=1,CH3COOH)
Boiling point	357.82°C (rough estimate)
density	1.1518 (rough estimate)
vapor pressure	0.002Pa at 25℃
refractive index	-6.5 ° (C=1, AcOH)
storage temp.	-20°C
solubility	Chloroform, DMF, DMSO, Methanol
form	Fine Crystalline Powder
pka	4.01±0.10(Predicted)
color	White
Optical Rotation	[α]20/D 6.2±0.5°, c = 1% in acetic acid
Water Solubility	insoluble
Detection Methods	T,NMR
BRN	1711290
Major Application	peptide synthesis
InChI	1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey	SZXBQTSZISFIAO-ZETCQYMHSA-N
SMILES	CC(C)[C@H](NC(=O)OC(C)(C)C)C(O)=O
LogP	1.752 at 25℃
CAS DataBase Reference	13734-41-3(CAS DataBase Reference)
EPA Substance Registry System	13734-41-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes	Xn
Risk Statements	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S24/25:Avoid contact with skin and eyes . S36:Wear suitable protective clothing . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . less more
WGK Germany	3
TSCA	Yes
HazardClass	IRRITANT
HS Code	29241990
Storage Class	11 - Combustible Solids

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