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CAS No.: | 85-09-6 |
---|---|
Name: | 2-aminonaphthalene-1-methylsulphonic acid |
Molecular Structure: | |
Formula: | C11H11NO3S |
Molecular Weight: | 237.279 |
Synonyms: | 2-Amino-1-naphthalenemethanesulfonicacid; |
EINECS: | 201-587-8 |
Density: | 1.476 g/cm3 |
PSA: | 88.77000 |
LogP: | 3.58800 |
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This chemical is called 1-Naphthalenemethanesulfonicacid, 2-amino-, and its systematic name is (2-aminonaphthalen-1-yl)methanesulfonic acid. With the molecular formula of C11H11NO3S, its molecular weight is 239.29. The CAS registry number of this chemical is 85-09-6.
Other characteristics of the 1-Naphthalenemethanesulfonic acid, 2-amino- can be summarised as followings: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.39; (4)ACD/LogD (pH 7.4): -3.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 62.9 cm3; (15)Molar Volume: 160.6 cm3; (16)Polarizability: 24.93×10-24cm3; (17)Surface Tension: 75.5 dyne/cm; (18)Density: 1.476 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)Cc1c2c(ccc1N)cccc2
2.InChI: InChI=1/C11H11NO3S/c12-11-6-5-8-3-1-2-4-9(8)10(11)7-16(13,14)15/h1-6H,7,12H2,(H,13,14,15)
3.InChIKey: HAODCXVRFDVUMY-UHFFFAOYAD