| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 13 | Yes |
Popular Name: N-Boc-3-Pyrrolidinone N-Boc-3-Pyrrolidinone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101385-93-7 , 123333-92-6 , 14891-10-2 , N/A , [101385-93-7] , [14891-10-2] , [55746-21-9]
(3,4-Dihydro-2H-chromen-6-ylmethyl)amine hydrochloride
1-(tert-Butoxycarbonyl)-3-pyrrolidinone
1-Pyrrolidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
1-tert-Butoxycarbonyl-3-pyrrolidone
2,3-Dimethylphenylhydrazine hydrochloride hydrate
3-Oxo-pyrrolidine-1-carboxylic acid tert-butyl ester
Ethyl 3-oxopyrrolidine-1-carboxylate
N-(tert-Butoxycarbonyl)-3-pyrrolidinone
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.68 | 3.7 | -7.1 | 0 | 4 | 0 | 47 | 185.223 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 34 - 38 | Acros Organics |
| Melting_Point | 34-38? | Alfa-Aesar |
| Melting_Point | 34-38° | Alfa-Aesar |
| MP | 34...38 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 99% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN E | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.