tert-butyl N-(cyanomethyl)-N-methylcarbamate

tert-butyl N-(cyanomethyl)-N-methylcarbamate

CAS: 180976-09-4

Formula: C8H14N2O2

SMILES: CN(CC#N)C(=O)OC(C)(C)C

IUPAC: tert-butyl N-(cyanomethyl)-N-methylcarbamate

InChI: InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h6H2,1-4H3

Composition: C (56.45%), H (8.29%), N (16.46%), O (18.80%)

Molar Mass: 170.212

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	170.105527699
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AXNPHDXTYKKHSJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.75
Topological Polar Surface Area	53.33
Polarizability	17.25
Ring Count	0
Rotatable Bond Count	3

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