N-(TERT-BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE

CAS No.
136465-81-1 ;168899-60-3
CCD No.
CCD00208219
Formula
C14 H26 N2 O
MolWeight
238.372

Basic Information

Product Name: N-(TERT-BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
CAS: 136465-81-1 ;168899-60-3
English Synonyms: 3S,4AS,8AS-3-N-T-BUTYLCARBOXAMIDODECAHYDROISOQUINOLINE ; [3S-(3ALPHA,4ABETA,8ABETA)]-N-(TERT-BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE ; (S)-N-(TERT. BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE ; N-(TERT-BUTYL)DECAHYDROISOQUINOLINECARBOXAMIDE ; (S)-(-)-TERT-BUTYL-DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE ; (S)-TERT-BUTYL DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE ; (3S)-N-TERT-BUTYLDECAHYDROISOQUINOLINE-3-CARBOXAMIDE ; [3S-(3Α,4AΒ,8AΒ)]-N-(TERT-BUTYL)DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE ; N-TERT-BUTYL-(3S)-DECAHYDROISOQUINOLINE 3-CARBOXAMIDE ; (S)-N-T-BUTYL DECAHYDRO-3-ISO-QUINOLINECARBOXAMIDE ; (S)-N-TERT-BUTYL DECAHYDRO-3-ISOQUINOLINE CARBOXAMIDE ; [3S-(3ALPHA,4ABETA,8ABETA)]-N-(TERT-BUTYL)DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE ; [(3S)-4-AZABICYCLO[4.4.0]DEC-3-YL]-N-(TERT.BUTYL)CARBOXAMIDE 99% ; (S)-T-BUTYL-DECAHYDRO-3-ISOQUINOLINE CARBOXAMIDE ; (3S,4AS,8AS)-N-(TERT-BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE ; (S)-N-TERT-BUTYLDECAHYDROISOQUINOLINE-3-CARBOXAMIDE ; [(3S)-4-AZABICYCLO[4.4.0]DEC-3-YL]-N-(TERT-BUTYL)CARBOXAMIDE ; (3S,4AS,8AS)-DECAHYDRO-N-T-BUTYL-3-ISOQUINOLINECARBOXAMIDE ; N-(TERT-BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE ; (S,S,S)-N-TERT-BUTYLDECAHYDROISOQUINOLINE-3-CARBOXAMIDE ; (3S,4AS,8AS)-N-(1,1-DIMETHYLETHYL)DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE
MDL Number.: MFCD01313226
H bond acceptor: 3
H bond donor: 2
Smile: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1
InChi: InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1
InChiKey: InChIKey=UPZBXVBPICTBDP-TUAOUCFPSA-N

Property

Melting Point: 112-115 DEG C(LIT)/112-115 °C
Comments: APPLICATION: FRAGMENT PRESENT IN VARIOUS HIV-1 PROTEASE INHIBITORS CURRENTLY IN CLINICAL TRIALS FOR AIDS TREATMENT
OPTICAL ACTIVITY: [ALPHA]22/D -71 DEG, C = 1 IN METHANOL
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS05 GHS05 GHS07 GHS07
Signal word: Danger
Hazard statements: H302-H318-H412
Precautionary statements: P273-P280-P305 + P351 + P338
hazard symbol: Xn
Risk Code: R:22-41-52/53
Safe Code: S:22-26-39-61
WGK Germany: 3

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