Cas no 915404-82-9 (1-Propanol, 3-[(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)amino]-)
![1-Propanol, 3-[(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)amino]- structure](https://ossimg.kuujia.com/scimg/915500/915404-82-9x500.png)
915404-82-9 structure
Product Name:1-Propanol, 3-[(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)amino]-
CAS No:915404-82-9
MF:C8H17N3O
MW:171.240081548691
CID:748608
PubChem ID:71422962
Update Time:2025-04-19
1-Propanol, 3-[(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)amino]- Chemical and Physical Properties
Names and Identifiers
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- 1-Propanol, 3-[(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)amino]-
- 3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)propan-1-ol
- 3-[(4,5,6,7-Tetrahydro-1H-1,3-diazepin-2-yl)amino]propan-1-ol
- DTXSID20841932
- 915404-82-9
-
- Inchi： 1S/C8H17N3O/c12-7-3-6-11-8-9-4-1-2-5-10-8/h12H,1-7H2,(H2,9,10,11)
- InChI Key： YDLPYGPHPFKVLT-UHFFFAOYSA-N
- SMILES： OCCCNC1=NCCCCN1
Computed Properties
- Exact Mass: 171.137162174g/mol
- Monoisotopic Mass: 171.137162174g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 56.6?2
1-Propanol, 3-[(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)amino]- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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