METHYL (3S)-(+)-3-(1-METHYLINDOL-3-YL)BUTANOATE

CAS No.
71711-31-4
CCD No.
CCD00496814
Formula
C14 H17 N O2
MolWeight
231.293

Basic Information

Product Name: METHYL (3S)-(+)-3-(1-METHYLINDOL-3-YL)BUTANOATE
CAS: 71711-31-4
English Synonyms: METHYL (3S)-(+)-3-(1-METHYLINDOL-3-YL)BUTANOATE
MDL Number.: MFCD05664282
H bond acceptor: 3
H bond donor: 0
Smile: C[C@@H](CC(=O)OC)c1cn(c2c1cccc2)C
InChi: InChI=1S/C14H17NO2/c1-10(8-14(16)17-3)12-9-15(2)13-7-5-4-6-11(12)13/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1
InChiKey: InChIKey=QIOUBQLAFUPETC-JTQLQIEISA-N

Property

Boiling Point: 344-345 DEG C(LIT)
Density: DENSITY: 1.093 G/ML AT 25 DEG C(LIT)
Physical Property: FLASHPOINT: >110 DEG C
FLASHPOINT: >230 DEG F
REFRACTIVE INDEX: N20/D 1.5590(LIT)
Comments: OPTICAL ACTIVITY: [ALPHA]20/D +7 DEG, C = 1% IN CHLOROFORM
UNSPSC: 12352100
WGK: 3
Information: OPTICAL PURITY: EE: 97% (HPLC)

Safety information

Symbol: GHS05 GHS05 GHS07 GHS07
Signal word: Danger
Hazard statements: H302-H315-H317-H318-H335
Precautionary statements: P261-P280-P305 + P351 + P338
hazard symbol: Xn
Risk Code: R:22-37/38-41-42/43
Safe Code: S:26-36
WGK Germany: 3

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