(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid, 95%

Name: (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid
Brand: Chempure

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CAS Number

1149-26-4

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About this item

IUPAC name	(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
inchi	InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1
inchi key	CANZBRDGRHNSGZ-NSHDSACASA-N
molecular formula	C13H17NO4
synonyms	1149-26-4 N-CBZ-L-VALINE Z-Val-OH N-Carbobenzyloxy-L-valine CBZ-L-valine

Computed Properties

Molecular Weight:	251.28 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	6
Exact Mass:	251.11575802 g/mol
Monoisotopic Mass:	251.11575802 g/mol
Topological Polar Surface Area:	75.6 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	285
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
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Skin Irrit. 2 (98.3%) Skin Sens. 1 (27.6%) Resp. Sens. 1 (69%)
precautionary statement codes	P233, P260, P261, P264, P271, P272, P280, P284, P302+P352, P304+P340, P321, P332+P317, P333+P317, P342+P316, P362+P364, P403, and P501
hazard statements	H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (27.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (69%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

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Product No: BA6173

(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid, 95%

Product No: BA6173

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SAFETY AND HAZARDS

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