Cas no 131206-85-4 (1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-)
131206-85-4 structure
Product Name:1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
CAS No:131206-85-4
MF:C9H10ClN5O
MW:239.661599636078
CID:172566
PubChem ID:183033
Update Time:2025-04-19
1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
- N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitrous amide
- 1-[(6-Chloropyridin-3-yl)methyl]-N-nitroso-4,5-dihydro-1H-imidazol-2-amine
- SCHEMBL20881161
- SCHEMBL10060150
- DTXSID0073871
- 1-[(6-chloro-3-pyridinyl) methyl]-N-nitroso-2-imidazolidimine
- NTN33893-nitrosimine
- 1H-Imidazol-2-amine, 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitroso-
- NS00014293
- 131206-85-4
- 1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso-
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- Inchi: 1S/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)
- InChI Key: BGJQJWBDOOIKPP-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C=N1)CN1C(NN=O)=NCC1
Computed Properties
- Exact Mass: 239.0576
- Monoisotopic Mass: 239.057388
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 285
- 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
- Topological Polar Surface Area: 70
- XLogP3: 0.3
Experimental Properties
- Density: 1.52
- Boiling Point: 389°Cat760mmHg
- Flash Point: 189°C
- Refractive Index: 1.699
- PSA: 69.95
1H-Imidazol-2-amine,1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitroso- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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