1-methyldodecylamine

1-methyldodecylamine
Compound Structure:
Synonyms: 2-Aminotridecane;2-Tridecanamine;13205-57-7;tridecan-2-amine;1-Methyldodecylamine;2-amino-tridecane
Compound ID: NMPC-099
PubChem ID:

123297
Molecular Formula: C13H29N
Canonical SMILES: CCCCCCCCCCCC(C)N
InChIKey: WCLHZVGJULAEJH-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H226 (99.64%): Flammable liquid and vapor [Warning Flammable liquids]

• H301+H311 (14.55%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

• H301 (49.45%): Toxic if swallowed [Danger Acute toxicity, oral]

• H302 (50.55%): Harmful if swallowed [Warning Acute toxicity, oral]

• H311 (66.55%): Toxic in contact with skin [Danger Acute toxicity, dermal]

• H312 (33.09%): Harmful in contact with skin [Warning Acute toxicity, dermal]

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H318 (50.91%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

• H411 (30.18%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

• H412 (33.82%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

199.38 g/mol

XLogP3

5.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

10

Exact Mass

199.229999929 g/mol

Monoisotopic Mass

199.229999929 g/mol

Topological Polar Surface Area

26Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

101

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Rauvolfia vomitoria
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