1-(oxan-3-yl)methanamine; carbonic acid

1-(oxan-3-yl)methanamine; carbonic acid

CAS: 118836-05-8

Formula: C7H15NO4

SMILES: OC(O)=O.NCC1CCCOC1

IUPAC: 1-(oxan-3-yl)methanamine; carbonic acid

InChI: InChI=1/C6H13NO.CH2O3/c7-4-6-2-1-3-8-5-6;2-1(3)4/h6H,1-5,7H2;(H2,2,3,4)

Composition: C (47.45%), H (8.53%), N (7.90%), O (36.12%)

Molar Mass: 177.2

Atom Count: 27

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	177.100107967
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QKEKCHYOPOPXQH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.11
Topological Polar Surface Area	35.25
Polarizability	13.27
Ring Count	1
Rotatable Bond Count	1

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95%	<4 Days	118836-05-8		$58.65-$232.30$58.65$232.30