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Home >> Chemical Listing >> Page 2994 >> 2-Methyl-2-propanyl 4-(1H-1,2,4-triazol-1-ylmethyl)-1,4-diazepane-1-carboxylate

2-Methyl-2-propanyl 4-(1H-1,2,4-triazol-1-ylmethyl)-1,4-diazepane-1-carboxylate
[CAS# 912763-11-2]

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Identification
Name 2-Methyl-2-propanyl 4-(1H-1,2,4-triazol-1-ylmethyl)-1,4-diazepane-1-carboxylate
Synonyms 4-[1,2,4]Triazol-1-ylmethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Molecular Structure CAS#: 912763-11-2, 2-Methyl-2-propanyl 4-(1H-1,2,4-triazol-1-ylmethyl)-1,4-diazepane-1-carboxylate
Molecular Formula C13H23N5O2
Molecular Weight 281.35
CAS Registry Number 912763-11-2
SMILES CC(C)(C)OC(=O)N1CCCN(CC1)Cn2cncn2
InChI 1S/C13H23N5O2/c1-13(2,3)20-12(19)17-6-4-5-16(7-8-17)11-18-10-14-9-15-18/h9-10H,4-8,11H2,1-3H3
InChIKey FFHKYBKJUQPGMZ-UHFFFAOYSA-N
Properties
Density 1.206g/cm3 (Cal.)
Boiling point 411.903°C at 760 mmHg (Cal.)
Flash point 202.912°C (Cal.)
Refractive index 1.579 (Cal.)
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