Cas no 1053656-98-6 (Benzyl 2-methyl-2-propanyl 6-(aminomethyl)-1,4-diazepane-1,4-dica Rboxylate)
1053656-98-6 structure
Product Name:Benzyl 2-methyl-2-propanyl 6-(aminomethyl)-1,4-diazepane-1,4-dica Rboxylate
CAS No:1053656-98-6
MF:C19H29N3O4
MW:363.451265096664
CID:1153357
PubChem ID:56924498
Update Time:2025-04-20
Benzyl 2-methyl-2-propanyl 6-(aminomethyl)-1,4-diazepane-1,4-dica Rboxylate Chemical and Physical Properties
Names and Identifiers
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- Benzyl 2-methyl-2-propanyl 6-(aminomethyl)-1,4-diazepane-1,4-dica rboxylate
- AKOS015855182
- DTXSID101111972
- 1-(1,1-Dimethylethyl) 4-(phenylmethyl) 6-(aminomethyl)tetrahydro-1H-1,4-diazepine-1,4(5H)-dicarboxylate
- 1053656-98-6
- Benzyl 2-methyl-2-propanyl 6-(aminomethyl)-1,4-diazepane-1,4-dica Rboxylate
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- Inchi： 1S/C19H29N3O4/c1-19(2,3)26-18(24)22-10-9-21(12-16(11-20)13-22)17(23)25-14-15-7-5-4-6-8-15/h4-8,16H,9-14,20H2,1-3H3
- InChI Key： ZMNBRBNYUZMMSG-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(N1CCN(C(=O)OCC2C=CC=CC=2)CC(CN)C1)=O
Computed Properties
- Exact Mass: 363.21580641g/mol
- Monoisotopic Mass: 363.21580641g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 472
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 85.1?2
Benzyl 2-methyl-2-propanyl 6-(aminomethyl)-1,4-diazepane-1,4-dica Rboxylate Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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