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1001401-60-0,MFCD22420241
Catalog No.:AA0000ZS
(5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester | 1001401-60-0
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5g
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$439.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0000ZS
Chemical Name:
(5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester
CAS Number:
1001401-60-0
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD22420241
IUPAC Name:
benzyl (5R)-5-methyl-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-12-7-9-16(10-8-15-12)14(17)18-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3/t12-/m1/s1
InChI Key:
DQUGXUOXPVSJFN-GFCCVEGCSA-N
SMILES:
C[C@H]1NCCN(CC1)C(=O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
1001401-60-0 
benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate 
AJ-129458 
CS-0049883 
FT-0699761 
(5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester 
Benzyl (5R)-5-methyl-1,4-diazepane-1-carboxylate, 97% - 1G 1g 
(R)-Benzyl 5-methyl-1,4-diazepane-1-carboxylate 
(R)-1-CBZ-5-METHYL-1,4-DIAZEPANE 
1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-5-METHYL-, PHENYLMETHYL ESTER, (5R)- 
SCHEMBL1818858 
MFCD22420241 
ZINC91297478 
ACN-037936 
AS-34097 
Literature
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