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3-(1-Azepanylmethyl)benzoic acid
[CAS# 915922-86-0]

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Identification
Name 3-(1-Azepanylmethyl)benzoic acid
Synonyms 3-(1-azepanylmethyl)benzoic acid; 3-(azepan-1-ylmethyl)benzoic acid
Molecular Structure CAS#: 915922-86-0, 3-(1-Azepanylmethyl)benzoic acid
Molecular Formula C14H19NO2
Molecular Weight 233.31
CAS Registry Number 915922-86-0
SMILES OC(=O)c2cc(CN1CCCCCC1)ccc2
InChI 1S/C14H19NO2/c16-14(17)13-7-5-6-12(10-13)11-15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11H2,(H,16,17)
InChIKey QBXMVVPNPBTXLH-UHFFFAOYSA-N
Properties
Density 1.132g/cm3 (Cal.)
Boiling point 377.686°C at 760 mmHg (Cal.)
Flash point 182.218°C (Cal.)
Refractive index 1.567 (Cal.)
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