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(3-Thien-2-ylphenyl)methylamine

HCID 18525771
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
859850-86-5
Standard SMILES
NCc1cccc(-c2cccs2)c1
InChIKey
PZXHYHVAVDOMOR-UHFFFAOYSA-N
Molecular formula
C11H11NS
Average molar mass
189.28 g/mol
Monoisotopic mass
189.06122035

Names & identifiers

Preferred name
(3-Thien-2-ylphenyl)methylamine
IUPAC
(3-thiophen-2-ylphenyl)methanamine
English name
(3-THIEN-2-YLPHENYL)METHYLAMINE
Molecular formula
C11H11NS
Molecular weight
189.28

Names & synonyms

(3-Thien-2-ylphenyl)methylamine859850-86-5(3-(Thiophen-2-yl)phenyl)methanamine(3-thiophen-2-ylphenyl)methanamine[3-(2-Thienyl)phenyl]methanamine[3-(thiophen-2-yl)phenyl]methanamine3-(Thien-2-yl)benzylamine1-[3-(Thiophen-2-yl)phenyl]methanamine(3-(THIOPHEN-2-YL)PHENYL)METHANAMINE HCL3-thiophen-2-yl-benzylamineMFCD08435868SCHEMBL111078
Show more names
3-(Thien-2-yl)benzylamine 97%3-(2-Thienyl)benzenemethanamineBenzenemethanamine, 3-(2-thienyl)-(3-Thien-2-ylphenyl)methylamine 97%
orb3218030SCHEMBL3144349SCHEMBL3793553SCHEMBL272828083-(Thien-2-yl)benzylamine97%DTXSID90594529PZXHYHVAVDOMOR-UHFFFAOYSA-N(3-(2-thienyl)phenyl)methylamine

Database identifiers

CAS
859850-86-5
PubChem CID
18525771
DTXSID
DTXSID90594529

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
54.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
160

Physicochemical properties

CAS DataBase Reference
859850 · 859850-86-5
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302+H312+H332-H314-H335
Precautionary statements
260 · P260-P280-P301+P312
HS Code
2934999090 · 2934999090

Safety & regulation

Safety data

hs_code
2934999090
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
Hazard statements
H302+H312+H332-H314-H335
Precautionary statements
P260-P280-P301+P312

Chemistry & industry

Suppliers11 total

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

3 records
New reaction record
HRID 163728 reaction equation
HRID 163728As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1667439 reaction equation
HRID 1667439As reactantuspto-grants-2011_10
HRID 1803525 reaction equation
HRID 1803525As reactantuspto-grants-2013_01

Compound notes

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