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Octamylamine

Octamylamine structure

CAS No:
502-59-0
Formula:
C13H29N
Chemical Name:
Octamylamine
Synonyms:
2-Heptanamine,6-methyl-N-(3-methylbutyl)-;Hexylamine,N-isopentyl-1,5-dimethyl-;6-Methyl-N-(3-methylbutyl)-2-heptanamine;N-(1,5-Dimethylhexyl)isopentylamine;2-Isoamylamino-6-methylheptane;N-Isoamyl-1,5-dimethylhexylamine;N-Isopentyl-1,5-dimethylhexylamine;2-Methyl-6-(3-methylbutylamino)heptane;Octamylamine;Octinum D;Octometine;Oktin D;Octisamyl;Ludoctal;Neo-octon;Octin D;(3-Methylbutyl)(6-methylheptan-2-yl)amine
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

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Description

Octamylamine is a secondary amino compound.

Octamylamine Basic Attributes

Molecular Weight：

583.13342

Exact Mass：

199.38

EC Number：

207-947-0

DSSTox ID：

DTXSID0057756

HScode：

2921199090

Characteristics

PSA：

XLogP3：

4.22780

Density：

0.787g/cm3

Melting Point：

<25 °C

Boiling Point：

100.5 °C

Flash Point：

72.4ºC

Refractive Index：

1.432

Toxicity：

LD50 intravenous in mouse: 16500ug/kg

Octamylamine Use and Manufacturing

This product is antispasmodic and can relieve smooth muscle spasms.

Computed Properties

Molecular Weight:199.38
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:8
Exact Mass:199.229999929
Monoisotopic Mass:199.229999929
Topological Polar Surface Area:12
Heavy Atom Count:14
Complexity:118
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes