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4-(5-Amino-6-(phenylmethyl)-2-pyrazinyl)phenol

HCID 193743
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
37156-84-6
Standard SMILES
Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1
InChIKey
BWNPYAKFDUFNND-UHFFFAOYSA-N
Molecular formula
C17H15N3O
Average molar mass
277.32 g/mol
Monoisotopic mass
277.12151211

Names & identifiers

Preferred name
4-(5-Amino-6-(phenylmethyl)-2-pyrazinyl)phenol
IUPAC
4-(5-amino-6-benzylpyrazin-2-yl)phenol
English name
4-(5-amino-6-benzylpyrazin-2-yl)phenol
Molecular formula
C17H15N3O
Molecular weight
277.32

Names & synonyms

37156-84-6CoelenteramineAF-3502-Amino-3-benzyl-5-(p-hydroxyphenyl)pyrazineCE63ZJ743VDTXSID30958363AF350Phenol, 4-(5-amino-6-(phenylmethyl)pyrazinyl)-Phenol, 4-[5-amino-6-(phenylmethyl)pyrazinyl]-4-(5-AMINO-6-(PHENYLMETHYL)-2-PYRAZINYL)PHENOLRefChem:912211DTXCID901766975
Show more names
Coelenterazine Int24-[5-Amino-6-(phenylmethyl)-2-pyrazinyl]phenolPhenol, 4-[5-amino-6-(phenylmethyl)-2-pyrazinyl]-4-(5-amino-6-benzyl-1H-pyrazin-2-ylidene)cyclohexa-2,5-dien-1-one
4-(5-amino-6-benzylpyrazin-2-yl)phenol2-amino-3-benzyl-5-(4-hydroxyphenyl)pyrazineAF 3504-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenolEtioluciferinAETIOLUCIFERIN4-(5-Amino-6-benzyl-2-pyrazinyl)phenolEtioluciferin (oplophorus)

Database identifiers

CAS
37156-84-6
PubChem CID
193743
DTXSID
DTXSID30958363
UNII
CE63ZJ743V
Nikkaji

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
72 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
311

Physicochemical properties

Melting point
201.6 · 201.6-203.1 °C
Boiling point
469.1 · 469.1±40.0 °C(Predicted)
Density
1.253 · 1.253±0.06 g/cm3(Predicted)
pka
8.46 · 8.46±0.15(Predicted)
Appearance
Solid Powder
InChI
InChI=1S/C17H15N3O/c18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13/h1-9,11,21H,10H2,(H2,18,19)
InChIKey
BWNPYAKFDUFNND-UHFFFAOYSA-N
SMILES
C1(O)=CC=C(C2=NC(CC3=CC=CC=C3)=C(N)N=C2)C=C1
FDA UNII
63 ZJ743V · CE63ZJ743V

Chemistry & industry

Applications

Description2-Amino-3-benzyl-5-(4-hydroxyphenyl)pyrazine is a fluorescent probe.

Suppliers13 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京欧凯纳斯生化科技有限公司010-62651721 18610486005 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州冠鼎生物科技有限公司+86-519-519-86686860 +86-18795626222 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
南京贝开思医药科技有限公司+86-13912903754 13912903754 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]

Related reactions

10 records
New reaction record
HRID 101177 reaction equation
HRID 101177As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1184321 reaction equation
HRID 1184321As reactantuspto-grants-2014_03
HRID 1184323 reaction equation
HRID 1184323As reactantuspto-grants-2014_03
HRID 1970785 reaction equation
HRID 1970785As reactantuspto-grants-2013_04
HRID 1970793 reaction equation
HRID 1970793As reactantuspto-grants-2013_04
HRID 1970798 reaction equation
HRID 1970798As reactantuspto-grants-2013_04
HRID 2282093 reaction equation
HRID 2282093As reactantuspto-grants-2015_09
HRID 2282095 reaction equation
HRID 2282095As reactantuspto-grants-2015_09
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
J16.973K
上海博拓生物科技有限公司16621358918 · [email protected]