Name: Name:tert-butyl 4-(hydroxymethyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate
Brand: Angene
SKU: AG01DI8V
Rating: 90 (10 reviews)

tert-butyl 4-(hydroxymethyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate

CAS No.:

1251009-83-2

Catalog Number:

AG01DI8V

Molecular Formula:

C14H22N2O3

Molecular Weight:

266.3361

Catalog Number:

AG01DI8V

Chemical Name:

tert-butyl 4-(hydroxymethyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate

CAS Number:

1251009-83-2

Molecular Formula:

C14H22N2O3

Molecular Weight:

266.3361

MDL Number:

MFCD18792197

IUPAC Name:

tert-butyl 4-(hydroxymethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxylate

InChI:

InChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-8-11(10-17)7-15-6-4-5-12(15)9-16/h4-6,11,17H,7-10H2,1-3H3

InChI Key:

RMVXMYRZAQTVIR-UHFFFAOYSA-N

SMILES:

OCC1CN(Cc2n(C1)ccc2)C(=O)OC(C)(C)C

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.341g/mol

Monoisotopic Mass:

266.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7