N3-L-Val-OH (CHA) - CAS 1217462-63-9

Catalog:	BB005255
Product Name:	N3-L-Val-OH (CHA)
CAS:	1217462-63-9
Synonyms:	(S)-2-Azido Isovaleric Acid Cyclohexylammonium Salt

Technical Data

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Computed Properties

IUPAC Name:	(2S)-2-azido-3-methylbutanoic acid;cyclohexanamine
Description:	N3-L-Val-OH (CHA) is a click chemistry containing an azide group, a valine derivative.
Molecular Weight:	242.32
Molecular Formula:	C11H22N4O2
Canonical SMILES:	CC(C)C(C(=O)O)N=[N+]=[N-].C1CCC(CC1)N
InChI:	InChI=1S/C6H13N.C5H9N3O2/c7-6-4-2-1-3-5-6;1-3(2)4(5(9)10)7-8-6/h6H,1-5,7H2;3-4H,1-2H3,(H,9,10)/t;4-/m.0/s1
InChI Key:	YMXXCNHHCIMTCV-VWMHFEHESA-N
MDL:	MFCD11223823
LogP:	2.83676

Publication Number	Title	Priority Date
WO-2020223368-A1	Methods and systems for integrated on-chip single-molecule detection	20190429
WO-2019207447-A1	Method for the treatment and/or prevention of damaged keratin	20180426
AU-2019259637-A1	Method for the treatment and/or prevention of damaged keratin	20180426
CN-112105341-A	A method for treating and/or preventing damaged keratin	20180426
BR-112020021514-A2	METHOD FOR THE TREATMENT AND / OR PREVENTION OF DAMAGED KERATIN	20180426

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Related Functional Groups

Nitrogen Compounds

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[351-28-0]
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[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
[7492-88-8]
3-piperidinecarbonitrile

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	242.17427596
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	242.17427596
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0