Chloroacetyl-DL-norleucine
Basic information
- CAS
56787-36-1- Standard SMILES
CCCCC(NC(=O)CCl)C(=O)O- InChIKey
NTOGPWIZAGBRID-LURJTMIESA-N- Molecular formula
- C8H14ClNO3
- Average molar mass
- 207.65 g/mol
- Monoisotopic mass
- 207.066221
Names & identifiers
- Preferred name
- Chloroacetyl-DL-norleucine
- IUPAC
- 2-[(2-chloroacetyl)amino]hexanoic acid
- English name
- CHLOROAC-NLE-OH
- Molecular formula
- C8H14ClNO3
- Molecular weight
- 207.65
Names & synonyms
Chloroacetyl-dl-norleucineRefChem:575774679-586-067206-26-2N-Chloroacetyl-DL-norleucine2-[(2-chloroacetyl)amino]hexanoic acid2-(2-chloroacetamido)hexanoic acidMFCD00059650N-(Chloroacetyl)-DL-norleucineNSC203446Chloracetyl-d,l-norleucinN-(Chloroacetyl)norleucine
Show more names
CLAC-NLE-OHClAc-L-Nle-OHCHLOROAC-NLE-OHCLAC-L-NORLEUCINECHLOROACETYL-L-NORLEUCINECHLOROACETYL-L-2-AMINOHEXANOIC ACIDL-Norleucine, N-(chloroacetyl)- (9CI)(S)-2-(2-Chloroacetamido)hexanoic acid
N-(Chloroacetyl)norleucine #SCHEMBL11736289NSC270562HY-W142018NSC-203446NSC-270562SY053794DB-230099
Database identifiers
- CAS
56787-36-1、67206-26-2- PubChem CID
- 306113
- EC Number
- 679-586-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 409.6 · 409.6±30.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 3.26 · 3.26±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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