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3-Thiophenemethanamine

3-Thiophenemethanamine structure

CAS No:
27757-86-4
Formula:
C5H7NS
Chemical Name:
3-Thiophenemethanamine
Synonyms:
3-Thiophenemethanamine;3-Thenylamine;[(Thien-3-yl)methyl]amine;[(Thiophen-3-yl)methyl]amine;3-(Aminomethyl)thiophene;Thiophen-3-ylmethanamine;Thien-3-ylmethanamine;1-Thien-3-ylmethanamine;3-Thiophenemethylamine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless liquid

3-Thiophenemethanamine Basic Attributes

Molecular Weight：

113.18

Exact Mass：

113.18

HScode：

2934999090

Characteristics

PSA：

54.3

XLogP3：

0.5

Density：

1.13

Boiling Point：

102°C (15 mmHg)

Flash Point：

66.8±20.4 °C

Refractive Index：

1.566

Water Solubility：

Slightly soluble in water.

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

2735

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Hazard note：

Corrosive

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Danger|H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-thiophenemethylamine

3-Thiophenemethanamine Use and Manufacturing

General procedure: A flask (25 mL) containing ruthenium(II) complex (1 Mpercent) and 2-butanol (5 mL) was stirredfor 5 min under an argon atmosphere at room temperature. Afterwards, KOtBu(0.05 mM) was added and the mixture was stirred for another 5 min. Then, the nitrile(0.5 mM) was added and placed on a hot plate at 120 °C for 30 min. After completion ofthe reaction, the catalyst was removed from the reaction mixture by addition of petroleumether followed by filtration and subsequent neutralization with 1 M HCl. The ether layerwas filtered through a short path of silica gel by column chromatography. To the filtrate, hexadecane was added as a standard and the yield was determined by GC.Synthesis of thiophen-3-yl-methylamine (Scheme V, Compound 12)

Computed Properties

Molecular Weight:113.18
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:113.02992040
Monoisotopic Mass:113.02992040
Topological Polar Surface Area:54.3
Heavy Atom Count:7
Complexity:56
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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