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2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine

2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine structure

CAS No:
38585-67-0
Formula:
C7H13N3S
Chemical Name:
2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine
Synonyms:
Ethanamine,2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]-;Ethanamine,2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-;2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine;4-[[(2-Aminoethyl)thio]methyl]-5-methylimidazole;5-[[(2-Aminoethyl)thio]methyl]-4-methylimidazole;2-[[(5-Methyl-4-imidazolyl)methyl]thio]ethylamine;4-[(2-Aminoethylmercapto)methyl]-5-methylimidazole;2-[[(5-Methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethan-1-amine;108082-69-5

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2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine Basic Attributes

Molecular Weight：

171.26322

Exact Mass：

171.26

EC Number：

254-022-2

DSSTox ID：

DTXSID00191907

HScode：

2933290090

Characteristics

PSA：

XLogP3：

1.61030

Density：

1.187g/cm3

Melting Point：

184-187 °C

Boiling Point：

400.3ºC at 760mmHg

Flash Point：

195.9ºC

Refractive Index：

1.599

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine Use and Manufacturing

Methods of Manufacturing

It is prepared by reacting 4-methylimidazole and formaldehyde-cysteamine addition compound or 2-aminoethanethiol sulfate-formaldehyde or thiazolidine with the participation of sulfuric acid.

Uses

The intermediate of cimetidine.

Computed Properties

Molecular Weight:171.27
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:171.08301860
Monoisotopic Mass:171.08301860
Topological Polar Surface Area:80
Heavy Atom Count:11
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

2-[[(4-Methyl-1H-imidazol-5-yl)methyl]thio]ethanamine

SDS

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