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(N-CROTONYL)-(2R)-BORNANE-10,2-SULTAM

(N-CROTONYL)-(2R)-BORNANE-10,2-SULTAM structure

CAS No:
94668-55-0
Formula:
C14H21NO3S
Chemical Name:
(N-CROTONYL)-(2R)-BORNANE-10,2-SULTAM
Synonyms:
(R)-(-)-(2-BUTENOYL)-2,10-CAMPHORSULTAM;(N-CROTONYL)-(2R)-BORNANE-10,2-SULTAM;(N-Crotonyl)-(2R)-bornane-10,2-sultam, (2E)-1-[(3aS,6R,7aR)-Tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-2-buten-1-one;(1S)-N-crotyl-2,10-camphorsultam;2-Buten-1-one, 1-[(3aS,6R,7aR)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]-, (2E)-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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(N-CROTONYL)-(2R)-BORNANE-10,2-SULTAM Basic Attributes

Molecular Weight：

283.39

Exact Mass：

283.12421471

DSSTox ID：

DTXSID10448959|DTXSID20448960

Characteristics

PSA：

62.83000

XLogP3：

2.94810

Density：

1.27±0.1 g/cm3

Melting Point：

180-184 °C(lit.)

Boiling Point：

397.2±25.0 °C(Predicted)

Flash Point：

194ºC

Refractive Index：

1.576

PKA：

-14.19±0.40

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:283.39
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:283.12421471
Monoisotopic Mass:283.12421471
Topological Polar Surface Area:62.8
Heavy Atom Count:19
Complexity:558
Undefined Atom Stereocenter Count:3
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 94668-55-0

Grade: Industrial Grade

Content: 99%

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Guide of (N-CROTONYL)-(2R)-BORNANE-10,2-SULTAM

Basic Attributes
Characteristics
Safety Information
Computed Properties
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