(S)-N-Boc-4-bromophenylalanine
Properties
- Molecular formula
- C14H18BrNO4
- Molar mass
- 344.21 g/mol
- Exact mass
- 343.0419 Da
- logP
- 2.97Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 4
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
62129-39-9SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)OInChIKey
ULNOXUAEIPUJMK-NSHDSACASA-NInChI
InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (S)-N-Boc-4-bromophenylalanine
Similar compounds
Boc-D-tyr-oh70642-86-382 % similar
Boc-dl-phe-oh4530-18-176 % similar
Boc-4-iodo-D-phenylalanine176199-35-275 % similar
Boc-L-4-fluorophe41153-30-475 % similar
(2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-875 % similar
Boc-4-amino-L-phenylalanine55533-24-975 % similar
Boc-L-4-chlorophe68090-88-075 % similar
Boc-D-4,4'-biphenylalanine128779-47-573 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.