L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)

C₁₄H₂₁ClN₄O₄CAS 56672-63-0344.80 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

Properties

Molecular formula: C₁₄H₂₁ClN₄O₄
Molar mass: 344.80 g/mol
Exact mass: 344.1251 Da
logP: 1.26Crippen estimate
Polar surface area: 141.0 Å²
H-bond donors / acceptors: 5 / 4
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56672-63-0

SMILES

Cl.N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)O

InChIKey

HHCPMSWPCALFQJ-MERQFXBCSA-N

InChI

InChI=1S/C14H20N4O4.ClH/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17);1H/t11-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

L-Arginine, N2-[(phenylmethoxy)carbonyl]-, monohydrochloride
NSC 88473

Work with L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzyloxycarbonyl-L-arginine1234-35-1Free base N-Benzyloxycarbonyl-D-arginine6382-93-0Free base, enantiomer

Similar compounds

Benzoyl-L-arginine154-92-767 % similar N5-[Imino(nitroamino)methyl]-N2-[(phenylmethoxy)carbonyl]-L-ornithine2304-98-565 % similar D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, hydrochloride (1:1)113712-06-463 % similar N2-tert-Butyloxycarbonyl-L-arginine monohydrochloride35897-34-863 % similar N-α-Benzyloxycarbonyl-L-lysine2212-75-163 % similar D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, monohydrochloride, monohydrate204070-00-860 % similar N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-860 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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