(2S)-2-Amino-N,3,3-trimethylbutanamide

HCID 445856

Notes Reactions

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Basic information

CAS: 89226-12-0
Standard SMILES: CNC(=O)[C@@H](N)C(C)(C)C
InChIKey: BPKJNEIOHOEWLO-RXMQYKEDSA-N
Molecular formula: C7H16N2O
Average molar mass: 144.21 g/mol
Monoisotopic mass: 144.12626313

Names & identifiers

Preferred name: (2S)-2-Amino-N,3,3-trimethylbutanamide
IUPAC: (2S)-2-amino-N,3,3-trimethylbutanamide
English name: L-tert-Leucine methylamide
Molecular formula: C7H16N2O
Molecular weight: 144.21

Names & synonyms

L-tert-Leucine Methylamide(2S)-2-amino-N,3,3-trimethylbutanamideN,3-dimethyl-L-valinamideRefChem:398355431-420-6618-258-389226-12-0S-tert-Leucine N-methylamide(S)-2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEL-tert-LeucylaminomethaneMFCD00673329SCHEMBL342534

Show more names

(S)-TERT-LEUCINE METHYLAMIDEL-TLE-NMEH-TLE-NHMEH-L-tLe-NmeH-(TBU)GLY-HMEH-TER-LEU-NHMEH-(TBU)GLY-NHMEALPHA-TERT-BUTYL-GLYCINE

DTXSID30393038DB01949EN300-2991814(2S)-2-Amino-3,3-dimethylbutanoic acid methylamideH-tLeu-NHMeL-t-leucine N-methylamideL-t-leucine N-methylarnideS-tert-LeucineN-methylamide

Database identifiers

CAS: 89226-12-0
PubChem CID: 445856
DTXSID: DTXSID30393038
EC Number: 431-420-6、618-258-3
Nikkaji: J2.000.794J

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

storage temp.: 2 · 2-8°C, protect from light
form: powder to crystal
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2924190090 · 2924190090
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2836

Hazard Classes and Categories · 2 items

Skin Sens. 1 (100%)

Skin Irrit. 2 (100%)

Safety data

hs_code: 2924190090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313