4-(Dimethylamino)-1-butanol

• CAS: 13330-96-6
• Catalog Number: ACM13330966
• Category: Amino Alcohols
• Molecular Weight: 117.19
• Molecular Formula: C₆H₁₅NO
• Synonyms: 4-Dimethylamino-1-butanol, 4-(Dimethylamino)-1-butanol, 4-(Dimethylamino)butan-1-ol, 91376_ALDRICH, 91376_FLUKA, 4-DIMETHYLAMINO BUTANOL-1, MolPort-003-939-686, NSC165645, CID83350, EINECS 236-380-1, D1659, 13330-96-6
• IUPAC Name: 4-(dimethylamino)butan-1-ol
• Canonical SMILES: CN(C)CCCCO
• InChI Key: QCTOLMMTYSGTDA-UHFFFAOYSA-N
• Boiling Point: 188ºC
• Flash Point: 45.7ºC
• Density: 0.885g/cm³
• Appearance: clear liquid
• EC Number: 236-380-1
• Exact Mass: 117.11500
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36/37/39-45
• Symbol: GHS07

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(dimethylamino)butan-1-ol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is QCTOLMMTYSGTDA-UHFFFAOYSA-N.

What is the molecular weight of the compound?

The molecular weight of the compound is 117.19 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.3.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 23.5 Ų.

How many heavy atom counts does the compound have?

The compound has 8 heavy atom counts.