(S)-ALPHA,ALPHA-BIS(3,5-DIMETHYLPHENYL)-2-PYRROLIDINEMETHANOL

CAS No.
131180-63-7
CCD No.
CCD00949143
Formula
C21 H27 N O
MolWeight
309.45

Basic Information

Product Name: (S)-ALPHA,ALPHA-BIS(3,5-DIMETHYLPHENYL)-2-PYRROLIDINEMETHANOL
CAS: 131180-63-7
English Synonyms: (S)-ALPHA,ALPHA-BIS(3,5-DIMETHYLPHENYL)-2-PYRROLIDINEMETHANOL ; (S)-(-)-2-[BIS(3,5-DIMETHYLPHENYL)HYDROXYMETHYL]PYRROLIDINE
MDL Number.: MFCD10566962
H bond acceptor: 2
H bond donor: 2
Smile: Cc1cc(cc(c1)C(c2cc(cc(c2)C)C)([C@@H]3CCCN3)O)C
InChi: InChI=1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/s1
InChiKey: InChIKey=MXIOBZPVLNQGIU-FQEVSTJZSA-N

Property

Melting Point: 98-101 DEG C
Comments: ASSAY METHOD: HPLC
RIDADR: UN 2811 6.1/PG 3
STORAGE TEMPERATURE: 2-8 DEG C
UNSPSC: 12000000
WGK: 3
Information: OPTICAL PURITY: ENANTIOMERIC RATIO: 97.5% (HPLC)

Safety information

Symbol: GHS07 GHS07 GHS09 GHS09
Signal word: Warning
Hazard statements: H302-H400
Precautionary statements: P273
hazard symbol: Xn,N
Risk Code: R:22-50/53
Safe Code: S:60-61
WGK Germany: 3

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