4-Amino-N-methylbenzenemethanesulfonamide
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4-Amino-N-methylbenzenemethanesulfonamide
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CAS No:
109903-35-7
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Formula:
C8H12N2O2S
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Chemical Name:
4-Amino-N-methylbenzenemethanesulfonamide
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Synonyms:
Benzenemethanesulfonamide,4-amino-N-methyl-;4-Amino-N-methylbenzenemethanesulfonamide;4-(((Methylamino)sulfonyl)methyl)aniline;1-(4-Aminophenyl)-N-methylmethanesulfonamide
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CAS No:
4-Amino-N-methylbenzenemethanesulfonamide Basic Attributes
200.26
200.26
5865321
-0
DTXSID90380787
2935009090
Characteristics
80.6
0.1
1.297±0.06 g/cm3(Predicted)
140-142 °C(lit.)
387.6±44.0 °C(Predicted)
188.2±28.4 °C
1.590
3.25E-06mmHg at 25°C
Safety Information
III
9
UN 2811 6.1/PG 3
3
22-43
36/37
Xn,Xi
Irritant
P280-P301 + P310
H301-H317
|Danger|H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Amino-N-methylbenzenemethanesulfonamide Use and Manufacturing
4-Amino-N-methyl-α-toluenesulfonamide is an intermediate used in the synthesis of Sumatriptan (S810000).
Computed Properties
Molecular Weight:200.26
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:200.06194880
Monoisotopic Mass:200.06194880
Topological Polar Surface Area:80.6
Heavy Atom Count:13
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Amino-N-methylbenzenemethanesulfonamide
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