Name: Name:Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate
Brand: Angene
SKU: AG00012K
Rating: 90 (10 reviews)

Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate

CAS No.:

1001401-60-0

Catalog Number:

AG00012K

Molecular Formula:

C14H20N2O2

Molecular Weight:

248.3208

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Purity

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Price(USD)

Quantity

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United States

$549

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Catalog Number:

AG00012K

Chemical Name:

Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate

CAS Number:

1001401-60-0

Molecular Formula:

C14H20N2O2

Molecular Weight:

248.3208

MDL Number:

MFCD22420241

IUPAC Name:

benzyl (5R)-5-methyl-1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C14H20N2O2/c1-12-7-9-16(10-8-15-12)14(17)18-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3/t12-/m1/s1

InChI Key:

DQUGXUOXPVSJFN-GFCCVEGCSA-N

SMILES:

C[C@H]1NCCN(CC1)C(=O)OCc1ccccc1

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.326g/mol

Monoisotopic Mass:

248.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8