595-05-1_腊梅碱CAS号:595-05-1/腊梅碱中英文名/分子式/结构式

腊梅碱的其他展现形式

相关化合物

山腊梅碱 Chimonanthine CAS No.：5545-89-1

5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-1,7-bis[(3aR,8aR)-2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-,(4bR,5R,10bS,11S)- CAS No.：144424-79-3

3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H)-Quaterpyrrolo[2,3-b]indole,2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecahydro-1,1',1'',1'''-tetramethyl-,stereoisomer (9CI) CAS No.：112295-93-9

3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H)-Quaterpyrrolo[2,3-b]indole,2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecahydro-1,1',1'',1'''-tetramethyl-,stereoisomer (9CI) CAS No.：69937-02-6

psychotridine CAS No.：52617-25-1

1H-Indole-1-methanamine, 3,3'-methylenebis[N,N,3-trimethyl- CAS No.：102886-82-8

名称和标识符

InChIKey	XSYCDVWYEVUDKQ-COPRSSIGSA-N
Inchi	1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20+,21-,22+
SMILES	N1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23C4=C([H])C([H])=C([H])C([H])=C4N([H])[C@@]1([H])[C@]12C2=C([H])C([H])=C([H])C([H])=C2N([H])[C@@]3([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]

别名信息

- 中文别名 -

腊梅碱蜡梅碱洋臘梅鹼 (+)-蜡梅碱

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- 英文别名 -

5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-, (4bS,5R,10bS,11R)- 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl... CALYCANTHINE CALYCANTHINE(P) (-)-(1R,3S)-N-BOC-1-AMINOCYCLOPENTANE-3-CARBOXYLIC ACID (+)-(1S,3R)-N-Boc-b-homocycloleucine (1R,3S)-N-boc-1-Aminocyclopentane-3-carboxylicacid(e.e.) (1S,3R)-(+)-3-(BOC-AMIN (1S,3R)-3-amino-N-tert-butyloxycarbonylcyclopentanecarboxylic acid (1S,3R)-3-tert-butoxycarbonylamino-cyclopentanecarboxylic acid (1S,3R)-cyclopentanecarboxylic acid 3-[[(1,1-dimethylethoxy)carbonyl]amino] (1S,3R)-N-Boc-3-aminocyclopentanecarboxylic acid Calycanthin NSC 99016 [4bS-(4balpha,5alpha,10balpha,11alpha)]-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-bis(iminoethano)dibenzo[c,h][2,6]naphthyridine (1S)-21,24-Dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15, (1S,2R,10R,11S)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4

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物化性质

计算特性

精确分子量	346.21600
氢键供体数量	2
氢键受体数量	4
可旋转化学键数量	0
同位素质量	346.216
重原子数量	26
复杂度	531
同位素原子数量	0
确定原子立构中心数量	4
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	3.9
拓扑分子极性表面积	30.5
分子量	346.5

实验特性

LogP	3.18840
PSA	30.54000
折射率	1.711
沸点	531.8°Cat760mmHg
熔点	245 ºC
闪点	310.3°C
溶解度	微溶 (6.9 g/L) (25 ºC),
颜色与性状	Powder
比旋光度	D18 +684° (c = 1.2 in abs alc)
密度	1.29±0.1 g/cm3 (20 ºC 760 Torr),

腊梅碱 | 595-05-1