Cas no 5535-87-5 (3,5-Diaminobenzoic acid)
3,5-Diaminobenzoic acid structure
Product Name:3,5-Diaminobenzoic acid
CAS No:5535-87-5
MF:C14H14O2
MW:214.259764194489
CID:943810
Update Time:2024-06-13
3,5-Diaminobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Diaminobenzoic acid
- (2Z)-2-(hexa-2,4-diynylidene)-1,6-dioxaspiro[4.5]dec-3-ene
- 1,6-Dioxaspiro[4.5]dec-3-ene, 2-(2,4-hexadiyn-1-ylidene)-, (2Z)-
-
- Inchi： 1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3
- InChI Key： RNEORCMLRJNFGE-UHFFFAOYSA-N
- SMILES： CC#CC#CC=C1C=CC2(OCCCC2)O1
Computed Properties
- Exact Mass: 214.09942
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- XLogP3: 3.242
Experimental Properties
- PSA: 18.46
3,5-Diaminobenzoic acid Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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