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[2-(azepan-1-yl)ethyl](methyl)amine hydrate

[2-(azepan-1-yl)ethyl](methyl)amine hydrate

CAS: 1609407-93-3

Formula: C9H22N2O

SMILES: O.CNCCN1CCCCCC1

IUPAC: [2-(azepan-1-yl)ethyl](methyl)amine hydrate

InChI: InChI=1S/C9H20N2.H2O/c1-10-6-9-11-7-4-2-3-5-8-11;/h10H,2-9H2,1H3;1H2

Composition: C (62.02%), H (12.72%), N (16.07%), O (9.18%)

Molar Mass: 174.288

Atom Count: 34

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 174.173213336
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HKQGRNUZYWSJAV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.46
Topological Polar Surface Area 15.27
Polarizability 19.66
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1609407-93-3 $28.75-$708.40$28.75$93.15$189.75$708.40
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