Name: Name:tert-butyl 4-(prop-2-yn-1-yl)-1,4-diazepane-1-carboxylate
Brand: Angene
SKU: AG01BUO9
Rating: 90 (10 reviews)

tert-butyl 4-(prop-2-yn-1-yl)-1,4-diazepane-1-carboxylate

CAS No.:

2031258-67-8

Catalog Number:

AG01BUO9

Molecular Formula:

C13H22N2O2

Molecular Weight:

238.3260

Catalog Number:

AG01BUO9

Chemical Name:

tert-butyl 4-(prop-2-yn-1-yl)-1,4-diazepane-1-carboxylate

CAS Number:

2031258-67-8

Molecular Formula:

C13H22N2O2

Molecular Weight:

238.3260

MDL Number:

MFCD30345352

IUPAC Name:

tert-butyl 4-prop-2-ynyl-1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C13H22N2O2/c1-5-7-14-8-6-9-15(11-10-14)12(16)17-13(2,3)4/h1H,6-11H2,2-4H3

InChI Key:

PAMXNDHEMRUQJQ-UHFFFAOYSA-N

SMILES:

C#CCN1CCCN(CC1)C(=O)OC(C)(C)C

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.331g/mol

Monoisotopic Mass:

238.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4