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(S)-alpha-Amino-N-2-naphthyl-1H-imidazole-4-propionamide

HCID 110993
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
7424-15-9
Standard SMILES
NC(Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1
InChIKey
DKDILZBBFKZMRO-UHFFFAOYSA-N
Molecular formula
C16H16N4O
Average molar mass
280.32 g/mol
Monoisotopic mass
280.13241115

Names & identifiers

Preferred name
(S)-alpha-Amino-N-2-naphthyl-1H-imidazole-4-propionamide
IUPAC
2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
English name
H-His-betana
Molecular formula
C16H16N4O
Molecular weight
280.32

Names & synonyms

N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)(S)-alpha-Amino-N-2-naphthyl-1H-imidazole-4-propionamideKBio3_002797N-2-naphthylhistidinamideSpectrum2_001492Spectrum3_001938L-Histidine b-naphthylamideBSPBio_003538SPECTRUM1502217SPBio_001503SCHEMBL4292344SCHEMBL9999604
Show more names
H-His-βNAL-His-βNAH-His-bNAH-His-βNAH-His-betanaHISTIDINE-BETANAl-histidine β-naphthylamideL-histidine 2-naphthylamideL-HISTIDYL-BETA-NAPHTHYLAMIDE
CHEMBL1489988DTXSID909957192-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamideN-naphthalen-2-yl-D-histidinamideEINECS 231-052-4CCG-39206AKOS003382319NCGC00095879-01

Database identifiers

CAS
7424-15-9
PubChem CID
110993

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
83.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
362

Physicochemical properties

storage temp.
20 °C · −20°C
form
powder
color
white to faint yellow
InChI
1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKey
DKDILZBBFKZMRO-HNNXBMFYSA-N
SMILES
N[C@@H](Cc1cnc[nH]1)C(=O)Nc2ccc3ccccc3c2
UNSPSC Code
12352209 · 12352209
NACRES
26 · NA.26
PPE
3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes
Xn
Risk Statements
40 · 40
Safety Statements
36 · 36
WGK Germany
3 · 3
HS Code
2933299090 · 2933299090
Storage Class
11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
hs_code
2933299090
risk_code
40
hazard_code
Xn
safety_code
36
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

UsesL-Histidine β-naphthylamide is a histidine derivative[1].

Suppliers13 total

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
DTXSID
DTXSID90995719
ChEMBL
CHEMBL1489988
宝鸡缔都医药化工有限公司
029-029-81148929 17792602132 · [email protected]

Additional notes

DefinitionChEBI: An L-histidine derivative that is the amide obtained by formal condensation of the carboxy group of L-histidine with the amino group of 2-naphthylamine.