6-aminobicyclo[2.2.1]hept-2-ene-5-carboxylic acid; benzenesulfonic acid 5442-38-6 CAS NO.5442-38-6

Min.Order: 1 Gram
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Product Details

Keywords

6-aminobicyclo[2.2.1]hept-2-ene-5-carboxylic acid; benzenesulfonic acid
5442-38-6
98%

Quick Details

ProName: 6-aminobicyclo[2.2.1]hept-2-ene-5-carb...
CasNo: 5442-38-6
Molecular Formula: C14H17NO5S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid benzenesulfonate (1:1)
【Iupac name】
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid; benzenesulfonic acid
【CAS Registry number】
5442-38-6
【Synonyms】
NSC12955
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid benzenesulfonate(1:1)
5442-38-6
NSC-12955
AC1L5DBM
AC1Q6WT1
AR-1F1901
NCI60_000670
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid benzenesulfonate
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
benzenesulfonic acid
【Molecular Formula】
C14H17NO5S (Products with the same molecular formula)
【Molecular Weight】
311.3535
【Inchi】
InChI=1/C8H11NO2.C6H6O3S/c9-7-5-2-1-4(3-5)6(7)8(10)11;7-10(8,9)6-4-2-1-3-5-6/h1-2,4-7H,3,9H2,(H,10,11);1-5H,(H,7,8,9)
【Canonical SMILES】
C1C2C=CC1C(C2C(=O)O)N.C1=CC=C(C=C1)S(=O)(=O)O
【MOL File】
5442-38-6.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
309.2°C at 760 mmHg
【Flash Point】
140.8°C
【Computed Properties】
Molecular Weight:311.35348 [g/mol]
Molecular Formula:C14H17NO5S
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:2
Exact Mass:311.082743
MonoIsotopic Mass:311.082743
Topological Polar Surface Area:126
Heavy Atom Count:21
Formal Charge:0
Complexity:408
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

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