3-[(Anthracen-9-ylmethyl)-amino]-propan-1-OL

HCID 11471095CAS 14131-13-6
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Basic information

Standard SMILES
OCCCNCc1c2ccccc2cc2ccccc12
InChIKey
PTTBVUCBACEVGV-UHFFFAOYSA-N
Molecular formula
C18H19NO
Average molar mass
265.3 g/mol
Monoisotopic mass
265.14666423

Names & identifiers

Preferred name
3-[(Anthracen-9-ylmethyl)-amino]-propan-1-OL
IUPAC
3-(anthracen-9-ylmethylamino)propan-1-ol
English name
3-[(Anthracen-9-ylmethyl)-amino]-propan-1-ol
Molecular formula
C18H19NO
Molecular weight
265.35

Names & synonyms

14131-13-63-[(ANTHRACEN-9-YLMETHYL)-AMINO]-PROPAN-1-OL3-(anthracen-9-ylmethylamino)propan-1-ol1-Propanol, 3-[(9-anthracenylmethyl)amino]-SCHEMBL32954443-{[(ANTHRACEN-9-YL)METHYL]AMINO}PROPAN-1-OLDTXSID40466989PTTBVUCBACEVGV-UHFFFAOYSA-NAKOS015966114AC-20704

Database identifiers

CAS
14131-13-6
PubChem CID
11471095
DTXSID
DTXSID40466989
Nikkaji
J1.187.623D

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
20

Physicochemical properties

Melting point
81 · 81-82 °C
Boiling point
483.2 · 483.2±28.0 °C(Predicted)
Density
1.154 · 1.154±0.06 g/cm3(Predicted)
pka
15.02 · 15.02±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers1 total

Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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