Cas no 5892-11-5 (Brucine dihydrate)
Brucine dihydrate structure
Product Name:Brucine dihydrate
CAS No:5892-11-5
MF:C23H30N2O6
MW:430.494106769562
CID:85476
PubChem ID:69897601
Update Time:2025-04-18
Brucine dihydrate Chemical and Physical Properties
Names and Identifiers
-
- Brucine dihydrate
- (S)-TERT-BUTYL 3-AMINO-3-PHENYLPROPANOATE
- MC-31-BC
- DTXSID90932588
- 145428-94-0
- 10,11-Dimethoxystrychnine Dihydrate
- Strychnidin-10-one,2,3-dimethoxy-,hydrate(1:2)
- (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;dihydrate
- J-008104
- SCHEMBL6794678
- 5892-11-5
- 10,11-Dimethoxystrychnine
- UEJ23QX4RE
- Brucine tetrahydrate [MI]
- Strychnidin-10-one, 2,3-dimethoxy-, hydrate (1:4)
- Q27291044
- Brucine tetrahydrate
- UNII-UEJ23QX4RE
- XLXHHXCMBNBDMP-BEYGIVOKSA-N
- Strychnidin-10-one, 2,3-dimethoxy-, tetrahydrate
- Brucine, tetrahydrate
- 2,3-dimethoxystrychnidin-10-one-water (1/4)
-
- MDL： MFCD00005942
- Inchi： 1S/C23H26N2O4.2H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;2*1H2/t13-,18-,19-,21-,22-,23+;;/m0../s1
- InChI Key： VWLBJWIPYIYRBM-FIMIILAWSA-N
- SMILES： O1CC=C2CN3CC[C@@]45C6C=C(C(=CC=6N6C(C[C@H]1[C@H]([C@H]2C[C@H]34)[C@H]65)=O)OC)OC.O.O
Computed Properties
- Exact Mass: 394.18900
- Monoisotopic Mass: 430.21038668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 31
- Rotatable Bond Count: 2
- Complexity: 785
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- Color/Form: Not determined
- Melting Point: 175-178?°C (dec.)(lit.)
- Boiling Point: 689.9 ℃/760 mmHg
- Flash Point: 371℃
- Water Partition Coefficient: Soluble in methanol. Partially soluble Miscible with water.
- PSA: 51.24000
- LogP: 2.11260
- Solubility: Not determined
Brucine dihydrate Security Information
- Hazardous Material transportation number：UN 1570 6.1/PG 1
- WGK Germany：3
- Hazard Category Code： 26/28-52/53-36/37/38-26/27/28
- Safety Instruction： S1-S13-S45-S61
- RTECS：EH8925000
-
Hazardous Material Identification：
- HazardClass：6.1
- PackingGroup：I
- TSCA：Yes
- Risk Phrases：R26/28; R52/53
- Safety Term：6.1
- Packing Group：I
- Hazard Level：6.1
Brucine dihydrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B923097-10g |
Brucine dihydrate |
5892-11-5 | 98% | 10g |
￥567.00 | 2022-01-12 | |
| TRC | B282175-10g |
Brucine dihydrate |
5892-11-5 | 10g |
$ 115.00 | 2023-04-18 | ||
| TRC | B282175-25g |
Brucine dihydrate |
5892-11-5 | 25g |
$ 242.00 | 2023-04-18 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-234223-100g |
Brucine hydrate, |
5892-11-5 | 100g |
￥1715.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-234223-100 g |
Brucine hydrate, |
5892-11-5 | 100g |
￥1,715.00 | 2023-07-11 | ||
| A2B Chem LLC | AX43845-5mg |
Brucine dihydrate |
5892-11-5 | 95% | 5mg |
$284.00 | 2024-04-19 | |
| A2B Chem LLC | AX43845-10mg |
Brucine dihydrate |
5892-11-5 | 95% | 10mg |
$332.00 | 2024-04-19 | |
| A2B Chem LLC | AX43845-20mg |
Brucine dihydrate |
5892-11-5 | 95% | 20mg |
$403.00 | 2024-04-19 | |
| A2B Chem LLC | AX43845-50mg |
Brucine dihydrate |
5892-11-5 | 95% | 50mg |
$574.00 | 2024-04-19 | |
| A2B Chem LLC | AX43845-100mg |
Brucine dihydrate |
5892-11-5 | 95% | 100mg |
$787.00 | 2024-04-19 |
Brucine dihydrate Related Literature
-
Doris E. Braun CrystEngComm 2020 22 7204
-
2. CCCIX.—The molecular configurations of polynuclear aromatic compounds. Part VIII. 6 : 6′-Dimethoxydiphenic acidJames Kenner,Harold Augustus Turner J. Chem. Soc. 1928 2340
-
3. XXII.—The estimation of the methoxyl groupJohn Theodore Hewitt,William Jacob Jones J. Chem. Soc. Trans. 1919 115 193
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