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Structure

tert-Butyl 7-methyl-1,4-diazepane-1-carboxylate

CAS
935843-93-9
Catalog Number
ACM935843939
Category
Other Products
Molecular Weight
214.304580 [g/mol]
Molecular Formula
C11H22N2O2

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Specification

Synonyms
tert-butyl 7-methyl-1,4-diazepane-1-carboxylate, 935843-93-9, PB24433, RP00290, AK137227, AM804578, KB-260858, Y4761, 7-METHYL-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-7-METHYL-, 1,1-DIMETHYLETHYL ESTER
IUPAC Name
tert-butyl 7-methyl-1,4-diazepane-1-carboxylate
Canonical SMILES
CC1CCNCCN1C(=O)OC(C)(C)C
InChI Key
DUYDMHWWVXLFDB-UHFFFAOYSA-N
Exact Mass
214.16800
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The molecular formula is C11H22N2O2.

What are the synonyms for tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The synonyms are 935843-93-9, 1-Boc-7-methyl-1,4-diazepane, 7-METHYL-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, Hexahydro-7-methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl ester.

What is the molecular weight of tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The molecular weight is 214.30 g/mol.

What is the IUPAC name of tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The IUPAC name is tert-butyl 7-methyl-1,4-diazepane-1-carboxylate.

What is the InChI of tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The InChI is InChI=1S/C11H22N2O2/c1-9-5-6-12-7-8-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3.

What is the InChIKey of tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The InChIKey is DUYDMHWWVXLFDB-UHFFFAOYSA-N.

What is the canonical SMILES of tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The canonical SMILES is CC1CCNCCN1C(=O)OC(C)(C)C.

What is the CAS number of tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The CAS number is 935843-93-9.

What is the hydrogen bond donor count of tert-butyl 7-methyl-1,4-diazepane-1-carboxylate?

The hydrogen bond donor count is 1.

Is tert-butyl 7-methyl-1,4-diazepane-1-carboxylate a canonicalized compound?

Yes, it is a canonicalized compound.

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